smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccc(C(OCCN2CC[NH+](C/C=C\c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022812816 526326504 /nfs/dbraw/zinc/32/65/04/526326504.db2.gz DASHZBBQOARCMQ-DAXSKMNVSA-N 1 2 448.557 5.402 1 0 IKAFLO CCCCc1[nH+]cc(C=C(Cc2cccs2)c2nn[nH]n2)n1Cc1ccccc1Cl ZINC000003792238 562937972 /nfs/dbraw/zinc/93/79/72/562937972.db2.gz MAZDSKSJGJGTSK-SFQUDFHCSA-N 1 2 438.988 5.285 1 0 IKAFLO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]2CC[C@]2(C)Nc4[nH+]c5ccccc5cc4C[C@H]32)C1 ZINC000005883742 562945265 /nfs/dbraw/zinc/94/52/65/562945265.db2.gz HVLLZGCXBUCKJF-JZRRMPSYSA-N 1 2 430.592 6.056 1 0 IKAFLO Clc1cccc(N2CC[NH+](Cc3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)c1 ZINC000013491640 562990445 /nfs/dbraw/zinc/99/04/45/562990445.db2.gz FISSWGCIUFVFKT-UHFFFAOYSA-N 1 2 428.967 5.515 1 0 IKAFLO CCCN(Cc1ccccc1)c1cc(C)nc2c(-c3c[nH+]c(N(C)C)cc3C)c(C)nn21 ZINC000013583177 562994842 /nfs/dbraw/zinc/99/48/42/562994842.db2.gz PFUUOOOSLMHWRW-UHFFFAOYSA-N 1 2 428.584 5.199 1 0 IKAFLO COc1ccccc1NC(=O)Nc1ccc(Oc2cc[nH+]c3cc(OC)c(OC)cc32)cc1 ZINC000013610082 562997681 /nfs/dbraw/zinc/99/76/81/562997681.db2.gz JGRUAZVMJJCPHI-UHFFFAOYSA-N 1 2 445.475 5.697 1 0 IKAFLO COc1ncccc1C[NH+]1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000013738238 563002762 /nfs/dbraw/zinc/00/27/62/563002762.db2.gz PFEWHKGZKPTSCN-UHFFFAOYSA-N 1 2 431.967 5.335 1 0 IKAFLO Clc1sccc1CO[C@H]1c2cc(Cl)c(Cl)cc2S[C@H]1Cn1cc[nH+]c1 ZINC000013775766 563005726 /nfs/dbraw/zinc/00/57/26/563005726.db2.gz YEHKRXJFFRNTNF-HOTGVXAUSA-N 1 2 431.797 6.337 1 0 IKAFLO Clc1ccc2c(c1)[C@@H](OCc1ccc(Cl)cc1Cl)[C@H](Cn1cc[nH+]c1)S2 ZINC000013775784 563005766 /nfs/dbraw/zinc/00/57/66/563005766.db2.gz QUQDOQTVANCRAB-RBUKOAKNSA-N 1 2 425.768 6.276 1 0 IKAFLO Clc1ccc(CO[C@H]2c3c(cc(Cl)cc3Cl)S[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000013775796 563005794 /nfs/dbraw/zinc/00/57/94/563005794.db2.gz HLISQAYPWNMIHC-IEBWSBKVSA-N 1 2 425.768 6.276 1 0 IKAFLO Cc1onc(-c2ccccc2)c1CO[C@@H]1c2ccc(Cl)cc2S[C@@H]1Cn1cc[nH+]c1 ZINC000013775820 563005805 /nfs/dbraw/zinc/00/58/05/563005805.db2.gz KTPODXPJZYIBRB-FYYLOGMGSA-N 1 2 437.952 5.932 1 0 IKAFLO Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@H+](C)[C@@H]1N2Cc1ccccc1 ZINC000013797561 563007569 /nfs/dbraw/zinc/00/75/69/563007569.db2.gz GUUSRQYNMVBLTK-VPUSJEBWSA-N 1 2 427.548 5.545 1 0 IKAFLO Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@H+](C)[C@@H]1N2Cc1ccccc1 ZINC000013797561 563007571 /nfs/dbraw/zinc/00/75/71/563007571.db2.gz GUUSRQYNMVBLTK-VPUSJEBWSA-N 1 2 427.548 5.545 1 0 IKAFLO CCCCCNC(=O)Nc1c(CC)cccc1OCCCn1c[nH+]c(-c2ccccc2)c1C ZINC000013827667 563010721 /nfs/dbraw/zinc/01/07/21/563010721.db2.gz WVAWJCRYMRRAIF-UHFFFAOYSA-N 1 2 448.611 6.202 1 0 IKAFLO CCc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2cc3cc(OC(F)(F)F)ccc3[nH]2)C1 ZINC000014976962 563017084 /nfs/dbraw/zinc/01/70/84/563017084.db2.gz OPDMNQXBFDZQTH-OAHLLOKOSA-N 1 2 442.441 5.066 1 0 IKAFLO O[C@@H](c1ccc(Cl)cc1Cl)[C@](O)(Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000026008434 563028366 /nfs/dbraw/zinc/02/83/66/563028366.db2.gz HBWJVZZCQWFPPG-ROUUACIJSA-N 1 2 432.134 5.118 1 0 IKAFLO COc1ccc([C@@H](OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925574 563025794 /nfs/dbraw/zinc/02/57/94/563025794.db2.gz NXEIIWOLSIXINJ-IINUCZPTSA-N 1 2 442.603 5.132 1 0 IKAFLO c1ccc(C(OCCN2CC[NH+](Cc3cnc4ccccc4c3)CC2)c2ccccc2)cc1 ZINC000022938649 563026565 /nfs/dbraw/zinc/02/65/65/563026565.db2.gz WOASQHJMSWRIGZ-UHFFFAOYSA-N 1 2 437.587 5.159 1 0 IKAFLO Cc1ccc2c(c1)N(C(=O)CN1CC[NH+](Cc3ccc(Cl)cc3)CC1)C(C)(C)C[C@@H]2C ZINC000022941339 563027000 /nfs/dbraw/zinc/02/70/00/563027000.db2.gz JIQPCUQFYHDNJZ-FQEVSTJZSA-N 1 2 440.031 5.085 1 0 IKAFLO Cc1ccc2c(c1)N(C(=O)C[NH+]1CCN(Cc3ccc(Cl)cc3)CC1)C(C)(C)C[C@@H]2C ZINC000022941339 563027002 /nfs/dbraw/zinc/02/70/02/563027002.db2.gz JIQPCUQFYHDNJZ-FQEVSTJZSA-N 1 2 440.031 5.085 1 0 IKAFLO O=C(Nc1ccc(F)c(Cl)c1)c1c2ccccc2nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000025395975 563027420 /nfs/dbraw/zinc/02/74/20/563027420.db2.gz UZRQTWCWUZKFHR-UHFFFAOYSA-N 1 2 445.925 5.838 1 0 IKAFLO O=C(Nc1ccc(F)c(Cl)c1)c1c2ccccc2nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000025395975 563027421 /nfs/dbraw/zinc/02/74/21/563027421.db2.gz UZRQTWCWUZKFHR-UHFFFAOYSA-N 1 2 445.925 5.838 1 0 IKAFLO CC[C@@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1Cn1cc[nH+]c1)c1ccccc1 ZINC000026288921 563030926 /nfs/dbraw/zinc/03/09/26/563030926.db2.gz KJZOIEGZNOPHDK-RUZDIDTESA-N 1 2 446.554 6.028 1 0 IKAFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@@H](/C=C/c2ccc(N)cc2)C1C(=O)OCC ZINC000026577925 563033957 /nfs/dbraw/zinc/03/39/57/563033957.db2.gz FFUDKHMUBGWKAN-JDXOBLMBSA-N 1 2 432.520 5.153 1 0 IKAFLO FC(F)(F)c1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)cc1 ZINC000026644270 563034492 /nfs/dbraw/zinc/03/44/92/563034492.db2.gz NBHPUKZRPYQEGR-HXUWFJFHSA-N 1 2 436.264 6.842 1 0 IKAFLO CC(C)C(C(C)C)N(Cc1c[nH+]c[nH]1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000026655549 563034778 /nfs/dbraw/zinc/03/47/78/563034778.db2.gz IFKRSYJLBQQNGT-UHFFFAOYSA-N 1 2 429.561 5.087 1 0 IKAFLO CC(C)C(C(C)C)N(Cc1c[nH]c[nH+]1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000026655549 563034779 /nfs/dbraw/zinc/03/47/79/563034779.db2.gz IFKRSYJLBQQNGT-UHFFFAOYSA-N 1 2 429.561 5.087 1 0 IKAFLO CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)N(C)C)CC1 ZINC000026666959 563035152 /nfs/dbraw/zinc/03/51/52/563035152.db2.gz ZRJKLVGIKAJOHF-MOPGFXCFSA-N 1 2 442.644 5.431 1 0 IKAFLO CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)N(C)C)CC1 ZINC000026666959 563035154 /nfs/dbraw/zinc/03/51/54/563035154.db2.gz ZRJKLVGIKAJOHF-MOPGFXCFSA-N 1 2 442.644 5.431 1 0 IKAFLO CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)N(C)C)CC1 ZINC000026666954 563035167 /nfs/dbraw/zinc/03/51/67/563035167.db2.gz ZRJKLVGIKAJOHF-RBUKOAKNSA-N 1 2 442.644 5.431 1 0 IKAFLO CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)N(C)C)CC1 ZINC000026666954 563035169 /nfs/dbraw/zinc/03/51/69/563035169.db2.gz ZRJKLVGIKAJOHF-RBUKOAKNSA-N 1 2 442.644 5.431 1 0 IKAFLO C[N@@H+]1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@@H](C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000027191190 563040374 /nfs/dbraw/zinc/04/03/74/563040374.db2.gz FEIRROBBFMUCJM-DNVCBOLYSA-N 1 2 433.162 5.322 1 0 IKAFLO C[N@H+]1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@@H](C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000027191190 563040375 /nfs/dbraw/zinc/04/03/75/563040375.db2.gz FEIRROBBFMUCJM-DNVCBOLYSA-N 1 2 433.162 5.322 1 0 IKAFLO CC[N@H+](Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1cccc(Cl)c1 ZINC000026985062 563038638 /nfs/dbraw/zinc/03/86/38/563038638.db2.gz VQTOIKFNTAKXCR-UHFFFAOYSA-N 1 2 447.000 5.159 1 0 IKAFLO CC[N@@H+](Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1cccc(Cl)c1 ZINC000026985062 563038640 /nfs/dbraw/zinc/03/86/40/563038640.db2.gz VQTOIKFNTAKXCR-UHFFFAOYSA-N 1 2 447.000 5.159 1 0 IKAFLO Clc1ccc([C@@H](c2c[nH]cc2-c2ccc(Cl)c(Cl)c2)n2cc[nH+]c2)c(Cl)c1 ZINC000027421585 563042069 /nfs/dbraw/zinc/04/20/69/563042069.db2.gz VOZKRUYNVQHSHL-FQEVSTJZSA-N 1 2 437.157 7.130 1 0 IKAFLO Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)c(Cl)c1 ZINC000027423803 563042122 /nfs/dbraw/zinc/04/21/22/563042122.db2.gz BHLRUOGOYQUJHE-HXUWFJFHSA-N 1 2 437.157 7.130 1 0 IKAFLO C=C1[NH+]=C(c2ccc(C)cc2)C(C(=O)OCC)[C@@H](/C=C/c2ccccc2)C1C(=O)OCC ZINC000027523367 563042921 /nfs/dbraw/zinc/04/29/21/563042921.db2.gz HXYNKYIBOAOJHS-VXZRQNNNSA-N 1 2 431.532 5.879 1 0 IKAFLO Clc1ccc2c(c1Cl)CN(CC[N@@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027876269 563047776 /nfs/dbraw/zinc/04/77/76/563047776.db2.gz VFZLGMHUYYLKHL-UHFFFAOYSA-N 1 2 430.206 5.717 1 0 IKAFLO Clc1ccc2c(c1Cl)CN(CC[N@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027876269 563047777 /nfs/dbraw/zinc/04/77/77/563047777.db2.gz VFZLGMHUYYLKHL-UHFFFAOYSA-N 1 2 430.206 5.717 1 0 IKAFLO Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000027882886 563047845 /nfs/dbraw/zinc/04/78/45/563047845.db2.gz KSXRPAWPLZPQDV-UHFFFAOYSA-N 1 2 432.976 5.926 1 0 IKAFLO Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000027882886 563047846 /nfs/dbraw/zinc/04/78/46/563047846.db2.gz KSXRPAWPLZPQDV-UHFFFAOYSA-N 1 2 432.976 5.926 1 0 IKAFLO Fc1ccc([C@H]2C[C@@H](N3CC[NH+](C/C=C/c4ccccc4)CC3)c3cc(F)ccc32)cc1 ZINC000028009395 563049536 /nfs/dbraw/zinc/04/95/36/563049536.db2.gz WFWXLDOWSRFXSJ-MMZUHSRASA-N 1 2 430.542 5.873 1 0 IKAFLO FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1Cn1cc[nH+]c1 ZINC000028119769 563051036 /nfs/dbraw/zinc/05/10/36/563051036.db2.gz ULMCBPNGBIMNAO-UHFFFAOYSA-N 1 2 427.666 6.111 1 0 IKAFLO Cc1ccc([C@H](c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)n2cc[nH+]c2)cc1 ZINC000028234964 563051965 /nfs/dbraw/zinc/05/19/65/563051965.db2.gz ZIQMGLHLIIJUHD-HSZRJFAPSA-N 1 2 436.342 6.388 1 0 IKAFLO COc1cc(NS(C)(=O)=O)ccc1Nc1c2c([nH+]c3ccccc31)-c1ccccc1[C@@H]2C ZINC000028264807 563052414 /nfs/dbraw/zinc/05/24/14/563052414.db2.gz KTAGYDFYEVETGX-HNNXBMFYSA-N 1 2 445.544 5.491 1 0 IKAFLO Cc1cc(N2CCCC2)[nH+]c2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 ZINC000028354585 563053312 /nfs/dbraw/zinc/05/33/12/563053312.db2.gz RSMBMIJRBXTECL-UHFFFAOYSA-N 1 2 429.442 5.180 1 0 IKAFLO Brc1cnc(Nc2ccc3[nH]c[nH+]c3c2)nc1N[C@@H]1CCCc2ccccc21 ZINC000028522944 563056189 /nfs/dbraw/zinc/05/61/89/563056189.db2.gz JONSRNZJYAZYTE-QGZVFWFLSA-N 1 2 435.329 5.349 1 0 IKAFLO c1ccc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@@H+](Cc3ccnc(-c5ccccc5)c3)C4)ccn2)cc1 ZINC000028707584 563062171 /nfs/dbraw/zinc/06/21/71/563062171.db2.gz JZTXTFWNWXKNQN-HNRBIFIRSA-N 1 2 446.598 5.659 1 0 IKAFLO c1ccc(-c2cc(CN3[C@@H]4CC[C@H]3C[N@H+](Cc3ccnc(-c5ccccc5)c3)C4)ccn2)cc1 ZINC000028707584 563062172 /nfs/dbraw/zinc/06/21/72/563062172.db2.gz JZTXTFWNWXKNQN-HNRBIFIRSA-N 1 2 446.598 5.659 1 0 IKAFLO Clc1ccc(CC[C@H]2CO[C@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028766963 563064170 /nfs/dbraw/zinc/06/41/70/563064170.db2.gz YUANOLWCHMZDBJ-RXVVDRJESA-N 1 2 437.754 5.745 1 0 IKAFLO Clc1ccc(CC[C@@H]2CO[C@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028766961 563064196 /nfs/dbraw/zinc/06/41/96/563064196.db2.gz YUANOLWCHMZDBJ-NQIIRXRSSA-N 1 2 437.754 5.745 1 0 IKAFLO COc1ccc(CC[C@H]2CO[C@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028768636 563064323 /nfs/dbraw/zinc/06/43/23/563064323.db2.gz FKNBVWMLDHPIHH-UGKGYDQZSA-N 1 2 433.335 5.100 1 0 IKAFLO Clc1ccc([C@H]2CO[C@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)c(Cl)c1 ZINC000028769176 563064356 /nfs/dbraw/zinc/06/43/56/563064356.db2.gz NAEGNFMRFQAVML-MOPGFXCFSA-N 1 2 444.145 6.138 1 0 IKAFLO CC[C@]1(C[C@@](O)(CNc2cccc3[nH+]c(C)ccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826212 563066395 /nfs/dbraw/zinc/06/63/95/563066395.db2.gz XJFFZMILSHZEQK-JWQCQUIFSA-N 1 2 442.525 6.323 1 0 IKAFLO CC[C@@]1(C[C@](O)(CNc2cccc3[nH+]c(C)ccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826213 563066403 /nfs/dbraw/zinc/06/64/03/563066403.db2.gz XJFFZMILSHZEQK-DQEYMECFSA-N 1 2 442.525 6.323 1 0 IKAFLO Nc1nccn2c(C3CCC3)[nH+]c(-c3cccc(OCc4cccc(OC(F)F)c4)c3)c12 ZINC000028885376 563068038 /nfs/dbraw/zinc/06/80/38/563068038.db2.gz ZIWHWZGPSKMTAF-UHFFFAOYSA-N 1 2 436.462 5.426 1 0 IKAFLO CCc1[nH+]c(C)nc(N[C@@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)c1Br ZINC000028887732 563068240 /nfs/dbraw/zinc/06/82/40/563068240.db2.gz KSBXLJJMFBWSGZ-IBGZPJMESA-N 1 2 444.348 6.605 1 0 IKAFLO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+](C)Cc1cccnc1 ZINC000028903837 563069174 /nfs/dbraw/zinc/06/91/74/563069174.db2.gz LRUIXNZPLHBZPB-UHFFFAOYSA-N 1 2 444.970 5.279 1 0 IKAFLO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+](C)Cc1cccnc1 ZINC000028903837 563069175 /nfs/dbraw/zinc/06/91/75/563069175.db2.gz LRUIXNZPLHBZPB-UHFFFAOYSA-N 1 2 444.970 5.279 1 0 IKAFLO Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1CN(C)Cc1cccnc1 ZINC000028903837 563069176 /nfs/dbraw/zinc/06/91/76/563069176.db2.gz LRUIXNZPLHBZPB-UHFFFAOYSA-N 1 2 444.970 5.279 1 0 IKAFLO CSc1ccc([C@@H](c2cccs2)c2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC000029130626 563075569 /nfs/dbraw/zinc/07/55/69/563075569.db2.gz WDEMFHFUAYYOCX-DEOSSOPVSA-N 1 2 425.619 5.361 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc4c(cccc4C(=O)NC4CCC4)c3)c2cc1OC ZINC000029133921 563076000 /nfs/dbraw/zinc/07/60/00/563076000.db2.gz BYYYCNUDMZSOGS-UHFFFAOYSA-N 1 2 428.488 5.480 1 0 IKAFLO CCN(CC)C(=O)N(CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1OC ZINC000029241076 563077101 /nfs/dbraw/zinc/07/71/01/563077101.db2.gz CVMHROJNXKVUSJ-UHFFFAOYSA-N 1 2 440.975 5.924 1 0 IKAFLO CCOC(=O)c1c[nH+]c2cc(C(F)(F)F)ccc2c1NCc1ccc(OC)c(Cl)c1 ZINC000029340168 563078319 /nfs/dbraw/zinc/07/83/19/563078319.db2.gz XXAGNOMNFKSMBE-UHFFFAOYSA-N 1 2 438.833 5.704 1 0 IKAFLO Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@H](c2ccccc2)[NH+]2CCOCC2)c(C)c1 ZINC000031715910 563083443 /nfs/dbraw/zinc/08/34/43/563083443.db2.gz LZSRHPZGZOQOMC-SVBPBHIXSA-N 1 2 429.560 5.583 1 0 IKAFLO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]2CC[C@]2(C)Nc4[nH+]c5ccccc5cc4C[C@@H]32)C1 ZINC000031829661 563083504 /nfs/dbraw/zinc/08/35/04/563083504.db2.gz HVLLZGCXBUCKJF-GZWXVEPWSA-N 1 2 430.592 6.056 1 0 IKAFLO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4Cc5cc6ccccc6[nH+]c5N[C@@]4(C)CC[C@@H]32)C1 ZINC000031829660 563083566 /nfs/dbraw/zinc/08/35/66/563083566.db2.gz HVLLZGCXBUCKJF-QBRNEFFTSA-N 1 2 430.592 6.056 1 0 IKAFLO Clc1ccc([C@H](CCOc2ccc(Br)cc2)Cn2cc[nH+]c2)c(Cl)c1 ZINC000033493839 563084500 /nfs/dbraw/zinc/08/45/00/563084500.db2.gz FVEQGTXOBNBFPK-CQSZACIVSA-N 1 2 440.168 6.205 1 0 IKAFLO C/C=C1/C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1Cc1nccc2c3ccc(O)cc3[nH]c21 ZINC000034859614 563088251 /nfs/dbraw/zinc/08/82/51/563088251.db2.gz LGSVJIPVPIRANC-JKCZZUPASA-N 1 2 448.570 6.011 1 0 IKAFLO C/C=C1/C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1Cc1nccc2c3ccc(O)cc3[nH]c21 ZINC000034859614 563088253 /nfs/dbraw/zinc/08/82/53/563088253.db2.gz LGSVJIPVPIRANC-JKCZZUPASA-N 1 2 448.570 6.011 1 0 IKAFLO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2[nH+]c3c(n2C)CCCC3)c1 ZINC000035849939 563090156 /nfs/dbraw/zinc/09/01/56/563090156.db2.gz ACVBCHUVZIWAEH-UHFFFAOYSA-N 1 2 448.876 5.594 1 0 IKAFLO O=C(CCCn1c2ccccc2c2c1C[N@@H+](CCc1ccccn1)CC2)c1ccc(F)cc1 ZINC000036093020 563090926 /nfs/dbraw/zinc/09/09/26/563090926.db2.gz HXVCXSCIXOEWNA-UHFFFAOYSA-N 1 2 441.550 5.439 1 0 IKAFLO O=C(CCCn1c2ccccc2c2c1C[N@H+](CCc1ccccn1)CC2)c1ccc(F)cc1 ZINC000036093020 563090927 /nfs/dbraw/zinc/09/09/27/563090927.db2.gz HXVCXSCIXOEWNA-UHFFFAOYSA-N 1 2 441.550 5.439 1 0 IKAFLO Fc1ccc(C[NH+]2CCN(C3=Nc4cc(Cl)ccc4Nc4ccccc43)CC2)c(F)c1 ZINC000036089488 563090932 /nfs/dbraw/zinc/09/09/32/563090932.db2.gz IOUMPQDJIZFQOW-UHFFFAOYSA-N 1 2 438.909 5.571 1 0 IKAFLO O=S(=O)(Nc1ccc2c(c1)[nH+]cn2Cc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000040393413 563100242 /nfs/dbraw/zinc/10/02/42/563100242.db2.gz JGTLLIWNPIIIFD-UHFFFAOYSA-N 1 2 439.540 5.552 1 0 IKAFLO CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH+]c(NCCc3cc(C)ccc3C)c2)[nH]1 ZINC000040409687 563101576 /nfs/dbraw/zinc/10/15/76/563101576.db2.gz MIYJKVFFUICQPF-UHFFFAOYSA-N 1 2 432.568 6.271 1 0 IKAFLO CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2cc[nH+]c(NCc3ccco3)c2)[nH]1 ZINC000040409683 563101581 /nfs/dbraw/zinc/10/15/81/563101581.db2.gz JURPACTVXHEKKU-UHFFFAOYSA-N 1 2 430.455 6.085 1 0 IKAFLO Cc1ccccc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCC2CCCCC2)CC1 ZINC000040421203 563102199 /nfs/dbraw/zinc/10/21/99/563102199.db2.gz LTCYWRLZUYNAQC-RUZDIDTESA-N 1 2 440.031 5.645 1 0 IKAFLO CCCC[N@H+](C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(=O)[O-])ccc2c1)n1cc[nH+]c1 ZINC000040556596 563104482 /nfs/dbraw/zinc/10/44/82/563104482.db2.gz JHXQEUXIBMCBIF-DVECYGJZSA-N 1 2 437.584 5.236 1 0 IKAFLO CCCC[N@@H+](C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(=O)[O-])ccc2c1)n1cc[nH+]c1 ZINC000040556596 563104483 /nfs/dbraw/zinc/10/44/83/563104483.db2.gz JHXQEUXIBMCBIF-DVECYGJZSA-N 1 2 437.584 5.236 1 0 IKAFLO CC[NH+](CC)[C@H](C)[C@@H](c1ccc2cc(OCC3(C(=O)[O-])CCCC3)ccc2c1)n1cc[nH+]c1 ZINC000040563756 563104579 /nfs/dbraw/zinc/10/45/79/563104579.db2.gz OWYKGJWNYSCISK-NLFFAJNJSA-N 1 2 449.595 5.380 1 0 IKAFLO CC(C)[N@H+](C)[C@H](C)[C@@H](c1ccc2cc(OCC3(C(=O)[O-])CCCC3)ccc2c1)n1cc[nH+]c1 ZINC000040564282 563104680 /nfs/dbraw/zinc/10/46/80/563104680.db2.gz MYLJXYCXVOMQPS-NLFFAJNJSA-N 1 2 449.595 5.378 1 0 IKAFLO CC(C)[N@@H+](C)[C@H](C)[C@@H](c1ccc2cc(OCC3(C(=O)[O-])CCCC3)ccc2c1)n1cc[nH+]c1 ZINC000040564282 563104681 /nfs/dbraw/zinc/10/46/81/563104681.db2.gz MYLJXYCXVOMQPS-NLFFAJNJSA-N 1 2 449.595 5.378 1 0 IKAFLO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2[nH]c(NC3CC3)[nH+]c2c1 ZINC000040568497 563105212 /nfs/dbraw/zinc/10/52/12/563105212.db2.gz IZFIBMWWSGZPCL-UHFFFAOYSA-N 1 2 433.924 5.218 1 0 IKAFLO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2[nH+]c(NC3CC3)[nH]c2c1 ZINC000040568497 563105213 /nfs/dbraw/zinc/10/52/13/563105213.db2.gz IZFIBMWWSGZPCL-UHFFFAOYSA-N 1 2 433.924 5.218 1 0 IKAFLO Clc1ccc(C2=NN[C@H](c3ccc(Cl)cc3Cl)[C@H]2n2cc[nH+]c2)c(Cl)c1 ZINC000040860142 563107946 /nfs/dbraw/zinc/10/79/46/563107946.db2.gz ZNFRUVJERKCEAI-SJLPKXTDSA-N 1 2 426.134 5.787 1 0 IKAFLO CCOCCCn1c2cc3ncnc(Nc4ccc(OC)cc4)c3cc2[nH+]c1CC(C)C ZINC000040901498 563111013 /nfs/dbraw/zinc/11/10/13/563111013.db2.gz DRSULOFXZSAQOG-UHFFFAOYSA-N 1 2 433.556 5.357 1 0 IKAFLO Fc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3cc[nH+]c3)O2)cc1 ZINC000040914547 563111206 /nfs/dbraw/zinc/11/12/06/563111206.db2.gz LKQVWWSVPUIJKW-RBBKRZOGSA-N 1 2 432.948 5.212 1 0 IKAFLO CC1(C)CCCc2cc(N3CCC(c4nc(-c5ccc(F)cc5Cl)no4)CC3)c[nH+]c21 ZINC000040918047 563111667 /nfs/dbraw/zinc/11/16/67/563111667.db2.gz XKWHUGFGOHOFTE-UHFFFAOYSA-N 1 2 440.950 5.922 1 0 IKAFLO COC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccccc2OC)cc1-c1ccccc1 ZINC000040952524 563114176 /nfs/dbraw/zinc/11/41/76/563114176.db2.gz WLPOVCKRYQIMRG-UHFFFAOYSA-N 1 2 427.504 5.006 1 0 IKAFLO CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH+]c(N[C@@H](C)CCc3ccccc3)c2)[nH]1 ZINC000040955993 563114667 /nfs/dbraw/zinc/11/46/67/563114667.db2.gz GOUYVNZKESXWSQ-KRWDZBQOSA-N 1 2 432.568 6.433 1 0 IKAFLO COC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccc(F)cc2F)cc1-c1ccccc1 ZINC000040976475 563115360 /nfs/dbraw/zinc/11/53/60/563115360.db2.gz AXUYDGPLPMGHBP-UHFFFAOYSA-N 1 2 433.458 5.275 1 0 IKAFLO Cc1ccccc1N1CC2(CCC(c3[nH]c4ccc(OC(F)(F)F)cc4[nH+]3)CC2)OC1=O ZINC000043200814 563119415 /nfs/dbraw/zinc/11/94/15/563119415.db2.gz JPBNBHCANXCOGP-UHFFFAOYSA-N 1 2 445.441 5.823 1 0 IKAFLO Fc1cc(Cl)ccc1Nc1cc[nH+]c2cc(-c3ccc(C[NH+]4CCOCC4)o3)ccc12 ZINC000045190867 563123643 /nfs/dbraw/zinc/12/36/43/563123643.db2.gz FYZPDFIIIHRTFM-UHFFFAOYSA-N 1 2 437.902 5.863 1 0 IKAFLO COc1ccc(Nc2nccc(-c3ccc4c(-c5ccsc5)c[nH+]c(N)c4c3)n2)cc1 ZINC000045200996 563124557 /nfs/dbraw/zinc/12/45/57/563124557.db2.gz LYDMYNSSLPNYCT-UHFFFAOYSA-N 1 2 425.517 5.755 1 0 IKAFLO FC(F)(F)c1cccc2c(NC3CC3)c(C3N=NC(=S)N3c3ccccc3)c[nH+]c21 ZINC000045257457 563127407 /nfs/dbraw/zinc/12/74/07/563127407.db2.gz IVDYLGZJFVQPNI-UHFFFAOYSA-N 1 2 427.455 5.364 1 0 IKAFLO CCCCCC1=C/C(=C/c2[nH]c(-c3ccc(Cc4ccc(O)cc4)[nH]3)cc2OC)[NH+]=C1C ZINC000045300471 563129098 /nfs/dbraw/zinc/12/90/98/563129098.db2.gz OXHNVYWPYWEZOW-JWGURIENSA-N 1 2 429.564 6.637 1 0 IKAFLO Cc1cc(Oc2cc[nH+]c(Nc3ccc(C(=O)N(C)C)cc3)c2)c(-c2ccccn2)nc1C ZINC000045300814 563129135 /nfs/dbraw/zinc/12/91/35/563129135.db2.gz DPCGOVJDWMYWEI-UHFFFAOYSA-N 1 2 439.519 5.393 1 0 IKAFLO Cc1[nH+]c2ccccc2n1C[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000045368567 563133244 /nfs/dbraw/zinc/13/32/44/563133244.db2.gz CKQNYOZESJFGOP-KRWDZBQOSA-N 1 2 439.359 5.664 1 0 IKAFLO COc1ccc(C2(O)C[NH+](CCC=C(c3sccc3C)c3sccc3C)C2)cc1 ZINC000049808345 563140349 /nfs/dbraw/zinc/14/03/49/563140349.db2.gz WZNSFAGBXSAUCC-UHFFFAOYSA-N 1 2 425.619 5.460 1 0 IKAFLO C[C@@]1(C(=O)NCc2cccc3ccccc32)CC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000061895837 563147257 /nfs/dbraw/zinc/14/72/57/563147257.db2.gz GNTSPMKBXYLCCF-QHCPKHFHSA-N 1 2 428.454 5.019 3 0 IKAFLO C[C@@]1(C(=O)NCc2cccc3ccccc32)CC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000061895837 563147258 /nfs/dbraw/zinc/14/72/58/563147258.db2.gz GNTSPMKBXYLCCF-QHCPKHFHSA-N 1 2 428.454 5.019 3 0 IKAFLO COc1cccc(-c2sc3ccccc3c2-c2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC000061947946 563151565 /nfs/dbraw/zinc/15/15/65/563151565.db2.gz KOVIKBQUWRXSED-UHFFFAOYSA-N 1 2 445.584 5.955 3 0 IKAFLO O=C1OC2(CN1c1ccccc1)CCN(c1[nH]c3ccc(-c4ccc(F)cc4)cc3[nH+]1)CC2 ZINC000064559780 563156148 /nfs/dbraw/zinc/15/61/48/563156148.db2.gz LWIPNOVKUFHZNW-UHFFFAOYSA-N 1 2 442.494 5.365 1 0 IKAFLO COc1cc(-c2onc3c2CCCN3[C@@H](C)c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000066101768 563158417 /nfs/dbraw/zinc/15/84/17/563158417.db2.gz YYENUAICFAPOED-KRWDZBQOSA-N 1 2 432.499 5.497 1 0 IKAFLO COCC[N@H+](C)Cc1csc(-c2cn(CC3CCCCC3)c3c2cccc3Cl)n1 ZINC000071281180 563161452 /nfs/dbraw/zinc/16/14/52/563161452.db2.gz IBROVSZFQOOXTQ-UHFFFAOYSA-N 1 2 432.033 6.077 1 0 IKAFLO COCC[N@@H+](C)Cc1csc(-c2cn(CC3CCCCC3)c3c2cccc3Cl)n1 ZINC000071281180 563161453 /nfs/dbraw/zinc/16/14/53/563161453.db2.gz IBROVSZFQOOXTQ-UHFFFAOYSA-N 1 2 432.033 6.077 1 0 IKAFLO CCCCOC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1cc[nH+]c1 ZINC000072118124 563163698 /nfs/dbraw/zinc/16/36/98/563163698.db2.gz PRMYIDMFDBPNTK-AREMUKBSSA-N 1 2 441.575 6.739 1 0 IKAFLO Cc1ccc(Cc2c(-c3ccc(Cl)cc3)[nH+]c3c(C)cc(Br)cn23)cc1 ZINC000072134990 563164069 /nfs/dbraw/zinc/16/40/69/563164069.db2.gz TXXYQSPFHULBEA-UHFFFAOYSA-N 1 2 425.757 6.625 3 0 IKAFLO Cc1ccc([C@@H]2[NH2+][C@H](c3ccc(C)cc3)[C@@H](c3ccccc3)C(=O)[C@H]2c2ccccc2)cc1 ZINC000072171867 563165020 /nfs/dbraw/zinc/16/50/20/563165020.db2.gz BSMSRMHSVCSYHX-RLQUZOAZSA-N 1 2 431.579 6.826 1 0 IKAFLO CC[C@H](Cc1cc2cc(-c3ccccc3C)ccc2[nH+]c1N)C(=O)NCC1CCCCC1 ZINC000072177492 563166022 /nfs/dbraw/zinc/16/60/22/563166022.db2.gz SHGMHNFVZNZZBT-OAQYLSRUSA-N 1 2 429.608 6.058 1 0 IKAFLO CC[C@@H](Cc1cc2cc(-c3ccccc3C)ccc2[nH+]c1N)C(=O)NCC1CCCCC1 ZINC000072177491 563166032 /nfs/dbraw/zinc/16/60/32/563166032.db2.gz SHGMHNFVZNZZBT-NRFANRHFSA-N 1 2 429.608 6.058 1 0 IKAFLO CCC[C@H](Cc1cc2cc(-c3ccccc3C)ccc2[nH+]c1N)C(=O)NCC1CCCCC1 ZINC000072177973 563166094 /nfs/dbraw/zinc/16/60/94/563166094.db2.gz KSRGIPYZQZCBMH-HSZRJFAPSA-N 1 2 443.635 6.448 1 0 in-vitro IKAFLO Nc1scc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000073222410 563170690 /nfs/dbraw/zinc/17/06/90/563170690.db2.gz NDWVFXKAKMRXDA-UHFFFAOYSA-N 1 2 446.403 5.190 1 0 IKAFLO Cc1cc2c(NC(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cccc2c(C)[nH+]1 ZINC000084690038 563176334 /nfs/dbraw/zinc/17/63/34/563176334.db2.gz ASRTVHNVXRISED-UHFFFAOYSA-N 1 2 443.473 5.056 1 0 IKAFLO COc1ccc2c(c1)[nH+]c([C@@H](C)c1ccc(CC(C)C)cc1)n2Cc1ccccc1Cl ZINC000084713236 563177767 /nfs/dbraw/zinc/17/77/67/563177767.db2.gz JPEJCNWUFQHFCB-IBGZPJMESA-N 1 2 432.995 7.097 1 0 IKAFLO CC(C)n1nc(-c2ccc3cc(OCc4ccccc4Cl)ccc3c2)c2c1nc[nH+]c2N ZINC000084722634 563178019 /nfs/dbraw/zinc/17/80/19/563178019.db2.gz KLNHTCQQONFNPS-UHFFFAOYSA-N 1 2 443.938 6.042 1 0 IKAFLO COc1cc2cc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)[nH+]c(C)c2cc1OC ZINC000095558616 563181786 /nfs/dbraw/zinc/18/17/86/563181786.db2.gz ONXOZQYHHDXVLF-UHFFFAOYSA-N 1 2 431.535 7.561 1 0 IKAFLO CCCCCc1c(-c2cccc(Br)c2)[nH+]cn1CCc1ccccc1OC ZINC000095565649 563183314 /nfs/dbraw/zinc/18/33/14/563183314.db2.gz ZFALOTOVKBSEHQ-UHFFFAOYSA-N 1 2 427.386 6.297 3 0 IKAFLO O=c1c(-c2ccccc2)nc2ccccc2n1[C@@H](c1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000095566546 563183593 /nfs/dbraw/zinc/18/35/93/563183593.db2.gz OPWLCLDGWAGEMT-AREMUKBSSA-N 1 2 428.495 5.578 3 0 IKAFLO O=c1c(-c2cccs2)nc2ccccc2n1[C@@H](c1[nH]c2ccccc2[nH+]1)c1ccccn1 ZINC000095567988 563183817 /nfs/dbraw/zinc/18/38/17/563183817.db2.gz MNXJGFDFCWMODE-HSZRJFAPSA-N 1 2 435.512 5.034 3 0 IKAFLO COc1ccc(Cc2c(-c3ccc(C)cc3)[nH+]c3c(C)cc(Br)cn23)c(C)c1 ZINC000095568602 563183942 /nfs/dbraw/zinc/18/39/42/563183942.db2.gz OFOWIYDZRRCZOV-UHFFFAOYSA-N 1 2 435.365 6.288 3 0 IKAFLO Cc1cc2[nH+]c(-c3cccc(Cl)c3)c(CC3CCCCC3)n2c(C)c1Br ZINC000095569385 563184106 /nfs/dbraw/zinc/18/41/06/563184106.db2.gz YSOMIXLTOGWSSR-UHFFFAOYSA-N 1 2 431.805 7.157 3 0 IKAFLO CCCC[C@H](c1[nH]c2ccccc2[nH+]1)n1c2cc(C)c(C)cc2nc(-c2ccccc2)c1=O ZINC000095570143 563184229 /nfs/dbraw/zinc/18/42/29/563184229.db2.gz ZICGFRBZJBXTBU-XMMPIXPASA-N 1 2 436.559 6.336 3 0 IKAFLO Cc1cc2[nH+]c(-c3ccc(Cl)cc3)c(CC3CCCCC3)n2c(C)c1Br ZINC000095569807 563184263 /nfs/dbraw/zinc/18/42/63/563184263.db2.gz QTTATXCISRHCTC-UHFFFAOYSA-N 1 2 431.805 7.157 3 0 IKAFLO COc1cc(Nc2nc(Cc3ccc(Cl)cc3)c(CO)s2)ccc1-n1c[nH+]c(C)c1 ZINC000095572470 563184737 /nfs/dbraw/zinc/18/47/37/563184737.db2.gz VFNGGYLRABICDP-UHFFFAOYSA-N 1 2 440.956 5.126 1 0 IKAFLO COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)cnc1-n1c[nH+]c(C)c1 ZINC000095576909 563186120 /nfs/dbraw/zinc/18/61/20/563186120.db2.gz IPLJMLVASBJBRO-UHFFFAOYSA-N 1 2 428.471 5.021 1 0 IKAFLO COc1ccc2nc(-c3ccc4ccccc4c3)n(-c3cc[nH+]c(NC4CCCCC4)n3)c2c1 ZINC000095586645 563189275 /nfs/dbraw/zinc/18/92/75/563189275.db2.gz QJPWQJPSTPILRY-UHFFFAOYSA-N 1 2 449.558 6.389 1 0 IKAFLO COc1ccc2cc(-c3nc(C[N@@H+]4CCc5cc(OC)c(OC)cc5C4)cs3)ccc2c1 ZINC000095590462 563189975 /nfs/dbraw/zinc/18/99/75/563189975.db2.gz OGLKJXIUGJVUHN-UHFFFAOYSA-N 1 2 446.572 5.547 1 0 IKAFLO COc1ccc2cc(-c3nc(C[N@H+]4CCc5cc(OC)c(OC)cc5C4)cs3)ccc2c1 ZINC000095590462 563189976 /nfs/dbraw/zinc/18/99/76/563189976.db2.gz OGLKJXIUGJVUHN-UHFFFAOYSA-N 1 2 446.572 5.547 1 0 IKAFLO COc1cc(/C=C2\CCCN3CC[C@@H](c4ccccc4)ON=C23)ccc1-n1c[nH+]c(C)c1 ZINC000095597697 563191980 /nfs/dbraw/zinc/19/19/80/563191980.db2.gz DQOYEQSNDJFFKT-NLZIUFDSSA-N 1 2 428.536 5.144 1 0 IKAFLO CC(C)[NH+](Cc1c(Br)sc(N)c1C(=O)c1ccc(Cl)cc1)C(C)C ZINC000096913266 563197872 /nfs/dbraw/zinc/19/78/72/563197872.db2.gz VWAVISBOMDJXFQ-UHFFFAOYSA-N 1 2 429.811 5.596 1 0 IKAFLO O=S(=O)(Nc1ccccn1)c1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000096935006 563199373 /nfs/dbraw/zinc/19/93/73/563199373.db2.gz QDCYVOHZOPNONG-UHFFFAOYSA-N 1 2 444.438 5.193 1 0 IKAFLO COc1ccc(NC(=O)Nc2ccc(Oc3cc[nH+]c4cc(OC)c(OC)cc43)cc2)cc1 ZINC000000602184 562918731 /nfs/dbraw/zinc/91/87/31/562918731.db2.gz MJJXPCMDOLZDMW-UHFFFAOYSA-N 1 2 445.475 5.697 1 0 IKAFLO CC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1 ZINC000011753486 562979182 /nfs/dbraw/zinc/97/91/82/562979182.db2.gz BTZFKXILRHPYDW-DEOSSOPVSA-N 1 2 429.520 5.070 3 0 IKAFLO CC(=O)c1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1 ZINC000011753486 562979184 /nfs/dbraw/zinc/97/91/84/562979184.db2.gz BTZFKXILRHPYDW-DEOSSOPVSA-N 1 2 429.520 5.070 3 0 IKAFLO Clc1sccc1CO[C@@H]1c2cc(Cl)c(Cl)cc2S[C@@H]1Cn1cc[nH+]c1 ZINC000013775769 563005730 /nfs/dbraw/zinc/00/57/30/563005730.db2.gz YEHKRXJFFRNTNF-HZPDHXFCSA-N 1 2 431.797 6.337 1 0 IKAFLO COc1ccccc1NC(=S)N(CCc1[nH]c2cc(C)c(C)cc2[nH+]1)Cc1cccnc1 ZINC000013477661 562989111 /nfs/dbraw/zinc/98/91/11/562989111.db2.gz XISUDBJEZXADGL-UHFFFAOYSA-N 1 2 445.592 5.025 3 0 IKAFLO O=C(Cc1csc2ccccc12)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000013586765 562995468 /nfs/dbraw/zinc/99/54/68/562995468.db2.gz ZGXXRCHPJRBHFM-QGZVFWFLSA-N 1 2 433.404 5.531 1 0 IKAFLO O=C(Cc1csc2ccccc12)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000013586765 562995469 /nfs/dbraw/zinc/99/54/69/562995469.db2.gz ZGXXRCHPJRBHFM-QGZVFWFLSA-N 1 2 433.404 5.531 1 0 IKAFLO Clc1sccc1CO[C@@H]1c2cc(Cl)cc(Cl)c2S[C@@H]1Cn1cc[nH+]c1 ZINC000013775765 563005745 /nfs/dbraw/zinc/00/57/45/563005745.db2.gz JHKCVYJSSNDGMS-HUUCEWRRSA-N 1 2 431.797 6.337 1 0 IKAFLO Cc1cc(C)c(NC(=O)N(Cc2ccc(-n3cc[nH+]c3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779984 563006313 /nfs/dbraw/zinc/00/63/13/563006313.db2.gz SDNMAQBVEBLPGM-UHFFFAOYSA-N 1 2 430.596 6.554 1 0 IKAFLO O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCCn1cc[nH+]c1 ZINC000013814750 563009224 /nfs/dbraw/zinc/00/92/24/563009224.db2.gz HHRSUWNKIITCSR-RMKNXTFCSA-N 1 2 432.376 5.561 1 0 IKAFLO CCCCCNC(=O)Nc1c(N)cccc1OCCCn1c[nH+]c(-c2ccccc2)c1C ZINC000013827627 563010680 /nfs/dbraw/zinc/01/06/80/563010680.db2.gz KXFUTSZGKAAWIK-UHFFFAOYSA-N 1 2 435.572 5.222 1 0 IKAFLO CCCCc1[nH+]c2ccc(Cl)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828034 563010757 /nfs/dbraw/zinc/01/07/57/563010757.db2.gz XNZZGHBVCUYCRO-UHFFFAOYSA-N 1 2 442.954 5.928 1 0 IKAFLO CCCCCNC(=O)Nc1c(C)cccc1COCCn1c[nH+]c(-c2ccccc2)c1C ZINC000013827712 563010766 /nfs/dbraw/zinc/01/07/66/563010766.db2.gz XNWNIQDTLBPBOF-UHFFFAOYSA-N 1 2 434.584 5.695 1 0 IKAFLO Nc1nc2[nH]c(Cc3ccc4ccccc4c3)cc2c(Nc2cccc(Br)c2)[nH+]1 ZINC000013859513 563012347 /nfs/dbraw/zinc/01/23/47/563012347.db2.gz HLFVKVGHXYAKHL-UHFFFAOYSA-N 1 2 444.336 5.790 1 0 IKAFLO Nc1nc2[nH]c(Cc3ccccc3Cl)cc2c(Nc2cccc(Br)c2)[nH+]1 ZINC000013859507 563012351 /nfs/dbraw/zinc/01/23/51/563012351.db2.gz ISXTVMIMVFTRIL-UHFFFAOYSA-N 1 2 428.721 5.290 1 0 IKAFLO Nc1[nH+]c(Nc2ccccc2NC(=O)c2ccccc2)ccc1C(=O)c1c(F)cccc1F ZINC000014945640 563015384 /nfs/dbraw/zinc/01/53/84/563015384.db2.gz PKISURMVDQRZBN-UHFFFAOYSA-N 1 2 444.441 5.169 1 0 IKAFLO COc1ccc([C@H](OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925579 563025849 /nfs/dbraw/zinc/02/58/49/563025849.db2.gz NXEIIWOLSIXINJ-RZFDLJBBSA-N 1 2 442.603 5.132 1 0 IKAFLO c1c2ccccc2[nH]c1C[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938630 563026587 /nfs/dbraw/zinc/02/65/87/563026587.db2.gz RFFULCJLCNPMMP-UHFFFAOYSA-N 1 2 425.576 5.092 1 0 IKAFLO CN1CC[NH+](CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)CC1 ZINC000023361026 563027248 /nfs/dbraw/zinc/02/72/48/563027248.db2.gz HOGIQAJOASEATP-UHFFFAOYSA-N 1 2 441.019 5.197 1 0 IKAFLO Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3c[nH]c[nH+]3)c2)C2CCCCCC2)c(C)c1 ZINC000026476524 563032243 /nfs/dbraw/zinc/03/22/43/563032243.db2.gz GPPRLMQLBUNDED-UHFFFAOYSA-N 1 2 430.596 6.759 1 0 IKAFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@@H](c2cc3ccccc3o2)C1C(=O)OCC ZINC000026578483 563034040 /nfs/dbraw/zinc/03/40/40/563034040.db2.gz KVVBFLRXVLJDSU-SCIJIFGBSA-N 1 2 431.488 5.771 1 0 IKAFLO FC(F)(F)c1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)cc1 ZINC000026644274 563034479 /nfs/dbraw/zinc/03/44/79/563034479.db2.gz NBHPUKZRPYQEGR-FQEVSTJZSA-N 1 2 436.264 6.842 1 0 IKAFLO Clc1ccc([C@@H](c2c[nH]cc2-c2ccc(-n3cccc3)cc2)n2cc[nH+]c2)c(Cl)c1 ZINC000026656852 563034911 /nfs/dbraw/zinc/03/49/11/563034911.db2.gz AHRQMVNBLZIKPR-DEOSSOPVSA-N 1 2 433.342 6.613 1 0 IKAFLO Clc1ccc([C@H](c2c[nH]cc2-c2ccc(-n3cccc3)cc2)n2cc[nH+]c2)c(Cl)c1 ZINC000026656856 563034919 /nfs/dbraw/zinc/03/49/19/563034919.db2.gz AHRQMVNBLZIKPR-XMMPIXPASA-N 1 2 433.342 6.613 1 0 IKAFLO CC[N@H+](Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1ccc(Cl)cc1 ZINC000026993660 563038791 /nfs/dbraw/zinc/03/87/91/563038791.db2.gz NVCMKCBLQDUADQ-UHFFFAOYSA-N 1 2 447.000 5.159 1 0 IKAFLO CC[N@@H+](Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1ccc(Cl)cc1 ZINC000026993660 563038793 /nfs/dbraw/zinc/03/87/93/563038793.db2.gz NVCMKCBLQDUADQ-UHFFFAOYSA-N 1 2 447.000 5.159 1 0 IKAFLO O=C(C[C@H]1c2ccccc2[NH+]=C(c2ccccc2)N1c1ccccc1)NCc1ccccc1 ZINC000026996168 563038930 /nfs/dbraw/zinc/03/89/30/563038930.db2.gz KBQDXJZKAJPELX-MHZLTWQESA-N 1 2 431.539 6.033 1 0 IKAFLO CC[C@@H](C)n1cc[nH+]c1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC ZINC000027203413 563040691 /nfs/dbraw/zinc/04/06/91/563040691.db2.gz WKDFZLJOXQLYJI-OAHLLOKOSA-N 1 2 447.804 6.731 1 0 IKAFLO Clc1ccc2c(c1)S[C@H](Cn1cc[nH+]c1)[C@@H]2OCc1c2c(ccc1Cl)OCO2 ZINC000027331513 563041715 /nfs/dbraw/zinc/04/17/15/563041715.db2.gz BGNVDKDCICEGPY-UYAOXDASSA-N 1 2 435.332 5.351 1 0 IKAFLO Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)c(Cl)c2)n2cc[nH+]c2)c(Cl)c1 ZINC000027425321 563042231 /nfs/dbraw/zinc/04/22/31/563042231.db2.gz ZOYMPLYCEMBDBQ-FQEVSTJZSA-N 1 2 437.157 7.130 1 0 IKAFLO O=C(C[NH+]1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccccc1 ZINC000027656158 563045308 /nfs/dbraw/zinc/04/53/08/563045308.db2.gz YIAKREGRZDILRB-UHFFFAOYSA-N 1 2 428.963 5.614 1 0 IKAFLO O[C@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccs1 ZINC000027712593 563045669 /nfs/dbraw/zinc/04/56/69/563045669.db2.gz RQOMKYBFUBMKFV-XMMPIXPASA-N 1 2 438.543 5.842 1 0 IKAFLO O[C@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccs1 ZINC000027712593 563045671 /nfs/dbraw/zinc/04/56/71/563045671.db2.gz RQOMKYBFUBMKFV-XMMPIXPASA-N 1 2 438.543 5.842 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3C)c2cc1OC ZINC000027982149 563048663 /nfs/dbraw/zinc/04/86/63/563048663.db2.gz OBTRDAAIHRTGOL-UHFFFAOYSA-N 1 2 442.559 7.394 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)c2cc1OC ZINC000028004400 563049386 /nfs/dbraw/zinc/04/93/86/563049386.db2.gz ZFEIMDPIYGTSHI-UHFFFAOYSA-N 1 2 428.532 7.085 1 0 IKAFLO Fc1ccc([C@@H]2C[C@H](N3CC[NH+](C/C=C/c4ccccc4)CC3)c3cc(F)ccc32)cc1 ZINC000028009399 563049554 /nfs/dbraw/zinc/04/95/54/563049554.db2.gz WFWXLDOWSRFXSJ-HVOIPLCBSA-N 1 2 430.542 5.873 1 0 IKAFLO Fc1ccc([C@H]2C[C@H](N3CC[NH+](C/C=C/c4ccccc4)CC3)c3cc(F)ccc32)cc1 ZINC000028009404 563049601 /nfs/dbraw/zinc/04/96/01/563049601.db2.gz WFWXLDOWSRFXSJ-PCDZZFAESA-N 1 2 430.542 5.873 1 0 IKAFLO CCC[C@H](O)c1c[nH+]c([C@@H](C)CC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569221 563058686 /nfs/dbraw/zinc/05/86/86/563058686.db2.gz YPDHBJDSZAAURZ-LRDDRELGSA-N 1 2 438.412 5.532 1 0 IKAFLO CC[C@H](C)c1[nH+]cc([C@H](O)C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569298 563058815 /nfs/dbraw/zinc/05/88/15/563058815.db2.gz KIYFWZZYGGXOPQ-BLLLJJGKSA-N 1 2 438.412 5.387 1 0 IKAFLO Cc1cc(NC2CC2)cn2c1[nH+]c(-c1ccc(F)cc1)c2-c1ccnc(NC2CCCC2)n1 ZINC000028703273 563061656 /nfs/dbraw/zinc/06/16/56/563061656.db2.gz PNUGWEPGDJNOLJ-UHFFFAOYSA-N 1 2 442.542 5.835 1 0 IKAFLO Clc1ccc(CC[C@@H]2CO[C@@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028766957 563064236 /nfs/dbraw/zinc/06/42/36/563064236.db2.gz YUANOLWCHMZDBJ-WIYYLYMNSA-N 1 2 437.754 5.745 1 0 IKAFLO COc1ccc(CC[C@@H]2CO[C@@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028768631 563064250 /nfs/dbraw/zinc/06/42/50/563064250.db2.gz FKNBVWMLDHPIHH-DENIHFKCSA-N 1 2 433.335 5.100 1 0 IKAFLO Clc1ccc([C@@H]2CO[C@@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)c(Cl)c1 ZINC000028769171 563064267 /nfs/dbraw/zinc/06/42/67/563064267.db2.gz NAEGNFMRFQAVML-RBUKOAKNSA-N 1 2 444.145 6.138 1 0 IKAFLO CCOC(=O)C[C@@H](CC)CCCCCn1c(C)[nH+]c(-c2ccccc2)c1-c1ccccc1 ZINC000028821675 563065423 /nfs/dbraw/zinc/06/54/23/563065423.db2.gz OKDHVEOGLQXMFU-QHCPKHFHSA-N 1 2 432.608 7.065 1 0 IKAFLO C[C@H](c1ccccc1)n1cc[nH+]c1C1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000028822945 563065901 /nfs/dbraw/zinc/06/59/01/563065901.db2.gz JXUWRZZEVUREMV-HSZRJFAPSA-N 1 2 435.571 5.715 1 0 IKAFLO CC[C@@]1(C[C@@](O)(CNc2cccc3[nH+]c(C)ccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826211 563066426 /nfs/dbraw/zinc/06/64/26/563066426.db2.gz XJFFZMILSHZEQK-LOSJGSFVSA-N 1 2 442.525 6.323 1 0 IKAFLO O=C(c1ccc2[nH]ccc2c1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028872281 563067562 /nfs/dbraw/zinc/06/75/62/563067562.db2.gz PBGBGFPUSVZTPF-VWLOTQADSA-N 1 2 429.951 5.369 1 0 IKAFLO O=C(c1ccc2[nH]ccc2c1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028872284 563067585 /nfs/dbraw/zinc/06/75/85/563067585.db2.gz PBGBGFPUSVZTPF-RUZDIDTESA-N 1 2 429.951 5.369 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc4c(cccc4C(=O)NCC4CC4)c3)c2cc1OC ZINC000029134008 563075987 /nfs/dbraw/zinc/07/59/87/563075987.db2.gz LFDJFILTWUNEEP-UHFFFAOYSA-N 1 2 428.488 5.337 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc4c(cccc4C(=O)NC4CCCC4)c3)c2cc1OC ZINC000029133916 563076017 /nfs/dbraw/zinc/07/60/17/563076017.db2.gz KEGATCOFPMKYRA-UHFFFAOYSA-N 1 2 442.515 5.870 1 0 IKAFLO COc1ccc([C@H]2CC[C@H](OCc3ccc(-n4c(C)[nH+]c5ccccc54)cc3)O2)cc1OC ZINC000029311245 563077449 /nfs/dbraw/zinc/07/74/49/563077449.db2.gz HJQFXLTXKOEJDR-SHQCIBLASA-N 1 2 444.531 5.746 1 0 IKAFLO Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@H+](C)[C@H]1N2Cc1ccccc1 ZINC000029484823 563081326 /nfs/dbraw/zinc/08/13/26/563081326.db2.gz GUUSRQYNMVBLTK-BDYUSTAISA-N 1 2 427.548 5.545 1 0 IKAFLO Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@H+](C)[C@H]1N2Cc1ccccc1 ZINC000029484823 563081328 /nfs/dbraw/zinc/08/13/28/563081328.db2.gz GUUSRQYNMVBLTK-BDYUSTAISA-N 1 2 427.548 5.545 1 0 IKAFLO NC(=O)[C@@H](Cc1ccccc1)[N@H+](Cc1cc(-c2ccccc2Cl)on1)Cc1ccccc1 ZINC000029555829 563082079 /nfs/dbraw/zinc/08/20/79/563082079.db2.gz MXUNNZKDRDCYHL-XMMPIXPASA-N 1 2 445.950 5.094 1 0 IKAFLO NC(=O)[C@@H](Cc1ccccc1)[N@@H+](Cc1cc(-c2ccccc2Cl)on1)Cc1ccccc1 ZINC000029555829 563082081 /nfs/dbraw/zinc/08/20/81/563082081.db2.gz MXUNNZKDRDCYHL-XMMPIXPASA-N 1 2 445.950 5.094 1 0 IKAFLO Cc1cc(-c2cc(-c3ccccc3)cc(N(C)Cc3cccc4ccccc43)[nH+]2)ccc1O ZINC000029569346 563082956 /nfs/dbraw/zinc/08/29/56/563082956.db2.gz LJASMGFZSABLPZ-UHFFFAOYSA-N 1 2 430.551 7.219 1 0 IKAFLO Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)[NH+]2CCOCC2)c(C)c1 ZINC000031715908 563083453 /nfs/dbraw/zinc/08/34/53/563083453.db2.gz LZSRHPZGZOQOMC-RRPNLBNLSA-N 1 2 429.560 5.583 1 0 IKAFLO O=C(Cc1ccc(Cl)cc1)S[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000039233088 563098907 /nfs/dbraw/zinc/09/89/07/563098907.db2.gz QDHCCHDFFBBHHY-SFHVURJKSA-N 1 2 425.768 6.087 1 0 IKAFLO CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH+]c(NCc3cc4ccccc4s3)c2)[nH]1 ZINC000040420995 563102236 /nfs/dbraw/zinc/10/22/36/563102236.db2.gz WCBPVKDVVMCIKI-UHFFFAOYSA-N 1 2 446.576 6.827 1 0 IKAFLO Cc1ccccc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000040423778 563102769 /nfs/dbraw/zinc/10/27/69/563102769.db2.gz OLLPWANHULOQCI-XMMPIXPASA-N 1 2 426.004 5.398 1 0 IKAFLO CC(C)Nc1[nH]c2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2[nH+]1 ZINC000040567537 563105056 /nfs/dbraw/zinc/10/50/56/563105056.db2.gz JVDKBJMEHYWUSI-UHFFFAOYSA-N 1 2 435.940 5.464 1 0 IKAFLO CC(C)Nc1[nH]c2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2[nH+]1 ZINC000040567537 563105057 /nfs/dbraw/zinc/10/50/57/563105057.db2.gz JVDKBJMEHYWUSI-UHFFFAOYSA-N 1 2 435.940 5.464 1 0 IKAFLO c1[nH+]c(-c2csc3ccccc23)n(C2CCC3(CC2)OCCO3)c1CC1CCCCC1 ZINC000040846405 563107526 /nfs/dbraw/zinc/10/75/26/563107526.db2.gz QXEAZKZAJJJXTD-UHFFFAOYSA-N 1 2 436.621 6.746 1 0 IKAFLO CN1N=C(c2ccc(Cl)cc2Cl)[C@@H](n2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1Cl ZINC000040874572 563109332 /nfs/dbraw/zinc/10/93/32/563109332.db2.gz QCQBZPCOULUFAT-RTBURBONSA-N 1 2 440.161 6.129 1 0 IKAFLO CNc1nc(Nc2ccc(-c3nc4ccccc4s3)cc2)c2cc(OC)c(OC)cc2[nH+]1 ZINC000040914751 563111279 /nfs/dbraw/zinc/11/12/79/563111279.db2.gz JMAGQLOPVXHYBU-UHFFFAOYSA-N 1 2 443.532 5.709 1 0 IKAFLO Nc1nc2[nH]c(CCc3ccccc3Cl)cc2c(Nc2cccc(Br)c2)[nH+]1 ZINC000040939145 563113260 /nfs/dbraw/zinc/11/32/60/563113260.db2.gz ZFOINLDOMHQFOQ-UHFFFAOYSA-N 1 2 442.748 5.485 1 0 IKAFLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1 ZINC000045167155 563122327 /nfs/dbraw/zinc/12/23/27/563122327.db2.gz HVLLCLCDZIUPIJ-UHFFFAOYSA-N 1 2 431.496 5.392 1 0 IKAFLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1 ZINC000045167155 563122329 /nfs/dbraw/zinc/12/23/29/563122329.db2.gz HVLLCLCDZIUPIJ-UHFFFAOYSA-N 1 2 431.496 5.392 1 0 IKAFLO COc1cc(C)[nH+]c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21 ZINC000045167752 563122477 /nfs/dbraw/zinc/12/24/77/563122477.db2.gz MWDFRWYSOAVEMK-UHFFFAOYSA-N 1 2 428.332 5.842 1 0 IKAFLO O=C(Nc1ccc(N2CCC(Nc3cccc[nH+]3)CC2)cc1)c1cnc(Cl)c(Cl)c1 ZINC000045191121 563123596 /nfs/dbraw/zinc/12/35/96/563123596.db2.gz FJANUTOLCCMVFW-UHFFFAOYSA-N 1 2 442.350 5.117 1 0 IKAFLO C=Cc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000045254754 563127129 /nfs/dbraw/zinc/12/71/29/563127129.db2.gz WIKFZOQKGJIUSK-UHFFFAOYSA-N 1 2 441.510 5.342 1 0 IKAFLO FC(F)(F)c1cccc2c(NC3CC3)c(C3N=NC(=S)N3Cc3ccccc3)c[nH+]c21 ZINC000045257622 563127511 /nfs/dbraw/zinc/12/75/11/563127511.db2.gz CATBEZHTRDHCPH-UHFFFAOYSA-N 1 2 441.482 5.423 1 0 IKAFLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000045323135 563130581 /nfs/dbraw/zinc/13/05/81/563130581.db2.gz KDWUOGVLYXDNGG-UHFFFAOYSA-N 1 2 425.467 5.330 1 0 IKAFLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000045323135 563130582 /nfs/dbraw/zinc/13/05/82/563130582.db2.gz KDWUOGVLYXDNGG-UHFFFAOYSA-N 1 2 425.467 5.330 1 0 IKAFLO COc1ccc(-c2cc(NCc3ccc(-n4cc[nH+]c4)cc3)nc(Nc3ccccc3)n2)cc1 ZINC000045337541 563131597 /nfs/dbraw/zinc/13/15/97/563131597.db2.gz MAQMEHGFYBAHNJ-UHFFFAOYSA-N 1 2 448.530 5.694 1 0 IKAFLO COC(=O)[C@@H](Cc1c2ccccc2sc1-c1ccc(OC)cc1)[NH2+]Cc1ccccc1 ZINC000045350581 563132276 /nfs/dbraw/zinc/13/22/76/563132276.db2.gz GRZBEVWILOYFMI-HSZRJFAPSA-N 1 2 431.557 5.451 1 0 IKAFLO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+]4CCC[C@H](C)C4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049035791 563136321 /nfs/dbraw/zinc/13/63/21/563136321.db2.gz ZFZKTDQPHJCYKI-ZDUSSCGKSA-N 1 2 438.925 5.954 1 0 IKAFLO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@@H+]4CCC[C@H](C)C4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049035791 563136323 /nfs/dbraw/zinc/13/63/23/563136323.db2.gz ZFZKTDQPHJCYKI-ZDUSSCGKSA-N 1 2 438.925 5.954 1 0 IKAFLO Fc1cccc(F)c1Cc1cnc(Nc2ccc(COc3cc[nH+]cc3)c(Cl)c2)o1 ZINC000049113908 563138677 /nfs/dbraw/zinc/13/86/77/563138677.db2.gz IUPVVZWIUPLLSJ-UHFFFAOYSA-N 1 2 427.838 5.915 1 0 IKAFLO O=C(Nc1ccc(Oc2ccc(-c3[nH]cc[nH+]3)cc2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000049808536 563140313 /nfs/dbraw/zinc/14/03/13/563140313.db2.gz ATVLERCLNNHVAC-UHFFFAOYSA-N 1 2 438.409 6.532 1 0 IKAFLO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1[nH+]ccn1Cc1ccc(Cl)cc1 ZINC000059223531 563146469 /nfs/dbraw/zinc/14/64/69/563146469.db2.gz LIYROGPUOXOGKP-LJQANCHMSA-N 1 2 448.876 5.973 1 0 IKAFLO C[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000061895991 563147249 /nfs/dbraw/zinc/14/72/49/563147249.db2.gz RYPXQFFFTYBBFL-HSZRJFAPSA-N 1 2 428.454 5.246 3 0 IKAFLO C[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000061895991 563147250 /nfs/dbraw/zinc/14/72/50/563147250.db2.gz RYPXQFFFTYBBFL-HSZRJFAPSA-N 1 2 428.454 5.246 3 0 IKAFLO Cc1c(Br)cccc1NC(=O)[C@@]1(C)CC[N@H+]1Cc1ccc(OC(C)C)cc1 ZINC000061902625 563147794 /nfs/dbraw/zinc/14/77/94/563147794.db2.gz GEGUXXKFUUZUGY-JOCHJYFZSA-N 1 2 431.374 5.148 3 0 IKAFLO Cc1c(Br)cccc1NC(=O)[C@@]1(C)CC[N@@H+]1Cc1ccc(OC(C)C)cc1 ZINC000061902625 563147795 /nfs/dbraw/zinc/14/77/95/563147795.db2.gz GEGUXXKFUUZUGY-JOCHJYFZSA-N 1 2 431.374 5.148 3 0 IKAFLO COc1cccc(C[N@@H+]2CC[C@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)c1OC ZINC000061906663 563148645 /nfs/dbraw/zinc/14/86/45/563148645.db2.gz PJYDZLVKEUNOOV-AREMUKBSSA-N 1 2 432.520 5.099 3 0 IKAFLO COc1cccc(C[N@H+]2CC[C@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)c1OC ZINC000061906663 563148646 /nfs/dbraw/zinc/14/86/46/563148646.db2.gz PJYDZLVKEUNOOV-AREMUKBSSA-N 1 2 432.520 5.099 3 0 IKAFLO CC(C)Oc1ccc(C[N@@H+]2CC[C@@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000061927050 563150135 /nfs/dbraw/zinc/15/01/35/563150135.db2.gz KCFGGDOJSSEGGS-MHZLTWQESA-N 1 2 430.548 5.869 3 0 IKAFLO CC(C)Oc1ccc(C[N@H+]2CC[C@@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000061927050 563150136 /nfs/dbraw/zinc/15/01/36/563150136.db2.gz KCFGGDOJSSEGGS-MHZLTWQESA-N 1 2 430.548 5.869 3 0 IKAFLO Cn1c2cc(-n3ccc(-c4ccc(Cl)cc4Cl)cc3=O)ccc2c2c1C[N@@H+](C)CC2 ZINC000064541161 563155320 /nfs/dbraw/zinc/15/53/20/563155320.db2.gz IAKXUOVEAACEQN-UHFFFAOYSA-N 1 2 438.358 5.291 1 0 IKAFLO Cn1c2cc(-n3ccc(-c4ccc(Cl)cc4Cl)cc3=O)ccc2c2c1C[N@H+](C)CC2 ZINC000064541161 563155321 /nfs/dbraw/zinc/15/53/21/563155321.db2.gz IAKXUOVEAACEQN-UHFFFAOYSA-N 1 2 438.358 5.291 1 0 IKAFLO S=c1n(C[NH+]2CCCC2)nc(-c2cccc(Cl)c2)n1-c1ccc(Br)cc1 ZINC000066104737 563158729 /nfs/dbraw/zinc/15/87/29/563158729.db2.gz CLEBRFPBJMMMLO-UHFFFAOYSA-N 1 2 449.805 5.539 1 0 IKAFLO CCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072108606 563163164 /nfs/dbraw/zinc/16/31/64/563163164.db2.gz PGTZWGWGXZPIHL-HSZRJFAPSA-N 1 2 448.320 5.380 1 0 IKAFLO COc1ccc2c(c1)[C@@](CCC(=O)N1[C@H](C)CC[C@@H]1C)(c1ccc(Cl)cc1)n1cc[nH+]c1-2 ZINC000072110357 563163338 /nfs/dbraw/zinc/16/33/38/563163338.db2.gz TUJSMEBQUNFBMQ-FIAZIHOUSA-N 1 2 449.982 5.497 1 0 IKAFLO Cc1ccc(Cc2c(-c3ccc(Cl)cc3)[nH+]c3cc(C)c(Br)c(C)n32)cc1 ZINC000072134938 563164125 /nfs/dbraw/zinc/16/41/25/563164125.db2.gz MLUZJSJWFXLEJV-UHFFFAOYSA-N 1 2 439.784 6.933 3 0 IKAFLO O=C1[C@H](c2ccccc2)[C@@H](c2ccc(F)cc2)[NH2+][C@@H](c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000072171866 563165023 /nfs/dbraw/zinc/16/50/23/563165023.db2.gz VLMKRUKQMWKUSC-KMKVIZFGSA-N 1 2 439.505 6.487 1 0 IKAFLO Cc1ccccc1-c1ccc2[nH+]c(N)c(C[C@H](C(=O)NCC3CCCCC3)C(C)C)cc2c1 ZINC000072177452 563166040 /nfs/dbraw/zinc/16/60/40/563166040.db2.gz MUOYKKPOPPKXNF-SANMLTNESA-N 1 2 443.635 6.304 1 0 IKAFLO CC(=O)c1ccccc1-c1ccc2[nH+]c(N)c(C[C@H](C)C(=O)NCCC(C)(C)C)cc2c1 ZINC000072179802 563166663 /nfs/dbraw/zinc/16/66/63/563166663.db2.gz SZARSNWHVAWQRF-KRWDZBQOSA-N 1 2 431.580 5.418 1 0 IKAFLO CC[C@@H](C)[C@H]([NH2+]Cc1ccccc1OC)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072181455 563167241 /nfs/dbraw/zinc/16/72/41/563167241.db2.gz QUYHWFCDBBRAOW-RLWLMLJZSA-N 1 2 447.623 6.141 1 0 IKAFLO CC[C@H](C)[C@H]([NH2+]Cc1ccccc1OC)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072181456 563167249 /nfs/dbraw/zinc/16/72/49/563167249.db2.gz QUYHWFCDBBRAOW-LVXARBLLSA-N 1 2 447.623 6.141 1 0 IKAFLO FC(F)(F)Oc1ccc(-c2nc(C[NH2+]Cc3ccccc3OC(F)(F)F)co2)cc1 ZINC000072184474 563167784 /nfs/dbraw/zinc/16/77/84/563167784.db2.gz WVDSFXATERAOHR-UHFFFAOYSA-N 1 2 432.320 5.429 1 0 IKAFLO Cc1ccc(C[NH2+][C@@H](c2nc(-c3ccccc3)c(N3CCCCC3)o2)c2ccccc2)cc1 ZINC000072184989 563167961 /nfs/dbraw/zinc/16/79/61/563167961.db2.gz RNZRZPOQZHBBFJ-AREMUKBSSA-N 1 2 437.587 6.520 1 0 IKAFLO COc1cc(Nc2ncc([C@H](O)c3ccc(Cl)cc3)s2)ccc1-n1c[nH+]c(C)c1 ZINC000073159174 563169252 /nfs/dbraw/zinc/16/92/52/563169252.db2.gz DTFPEQAXIJBRKS-HXUWFJFHSA-N 1 2 426.929 5.125 1 0 IKAFLO COc1ccc(Br)cc1-c1csc(Nc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000073169294 563169778 /nfs/dbraw/zinc/16/97/78/563169778.db2.gz WVWJNRQKNPFRGF-UHFFFAOYSA-N 1 2 427.327 5.511 1 0 IKAFLO Nc1nc2c(ccn2Cc2ccc3ccccc3c2)c(Nc2cccc(Br)c2)[nH+]1 ZINC000073296987 563172165 /nfs/dbraw/zinc/17/21/65/563172165.db2.gz PRGYTISLIUZBSA-UHFFFAOYSA-N 1 2 444.336 5.721 1 0 IKAFLO Clc1cc2nc([C@@H]3CCCN3c3cc(NC4CCCCC4)[nH+]cn3)[nH]c2cc1Cl ZINC000082154246 563173471 /nfs/dbraw/zinc/17/34/71/563173471.db2.gz FUDKEGAHNGCRGG-SFHVURJKSA-N 1 2 431.371 5.746 1 0 IKAFLO Clc1cc2nc([C@@H]3CCCN3c3cc(NC4CCCCC4)nc[nH+]3)[nH]c2cc1Cl ZINC000082154246 563173472 /nfs/dbraw/zinc/17/34/72/563173472.db2.gz FUDKEGAHNGCRGG-SFHVURJKSA-N 1 2 431.371 5.746 1 0 IKAFLO COc1cc(/C=C2\CCCN3C2=NO[C@]3(C)c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000082155927 563173657 /nfs/dbraw/zinc/17/36/57/563173657.db2.gz ZBQSQLZJIGVCBL-ALWYCYHKSA-N 1 2 432.499 5.024 1 0 IKAFLO COc1cc(/C=C2\CCCN3C2=NO[C@@]3(C)c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000082155926 563173688 /nfs/dbraw/zinc/17/36/88/563173688.db2.gz ZBQSQLZJIGVCBL-JFJNVINNSA-N 1 2 432.499 5.024 1 0 IKAFLO CCC[NH+](CCC)c1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 ZINC000084729034 563178414 /nfs/dbraw/zinc/17/84/14/563178414.db2.gz ZUXROILSBNUMPQ-UHFFFAOYSA-N 1 2 436.596 6.309 1 0 IKAFLO O=C(Nc1cc(Cl)cc2c3cc(NCc4ccccc4)[nH+]cc3[nH]c21)c1ccncc1 ZINC000095555962 563181430 /nfs/dbraw/zinc/18/14/30/563181430.db2.gz VPOPHWMKZFFFTH-UHFFFAOYSA-N 1 2 427.895 5.629 1 0 IKAFLO O=C(Nc1cc(Cl)cc2c3cc(NCc4ccccc4)[nH+]cc3[nH]c21)c1cccnc1 ZINC000095556881 563181623 /nfs/dbraw/zinc/18/16/23/563181623.db2.gz RVFUQMHVLLROKU-UHFFFAOYSA-N 1 2 427.895 5.629 1 0 IKAFLO CCCc1c(-c2cccc(Br)c2)[nH+]cn1Cc1cccc(-c2ccccc2)c1 ZINC000095566130 563183414 /nfs/dbraw/zinc/18/34/14/563183414.db2.gz LULXICAKOQANKI-UHFFFAOYSA-N 1 2 431.377 6.980 3 0 IKAFLO Cc1cc2[nH+]c(-c3cccc(Cl)c3)c(Cc3ccsc3)n2c(C)c1Br ZINC000095567273 563183740 /nfs/dbraw/zinc/18/37/40/563183740.db2.gz MXMFYVHBMOFUJG-UHFFFAOYSA-N 1 2 431.786 6.686 3 0 IKAFLO O=c1c(-c2ccco2)nc2ccccc2n1[C@@H](CCc1ccccc1)c1[nH]c2ccccc2[nH+]1 ZINC000095569479 563184080 /nfs/dbraw/zinc/18/40/80/563184080.db2.gz QJUVNEIKCHYRNS-DEOSSOPVSA-N 1 2 446.510 5.755 3 0 IKAFLO Cc1cc2[nH+]c(-c3ccc(F)cc3)c(Cc3cccc(Cl)c3)n2c(C)c1Br ZINC000095569559 563184177 /nfs/dbraw/zinc/18/41/77/563184177.db2.gz MFTNOFWDHLVBJM-UHFFFAOYSA-N 1 2 443.747 6.764 3 0 IKAFLO Cc1ccc(Cc2c(-c3cccc(Cl)c3)[nH+]c3cc(C)c(Br)c(C)n32)cc1 ZINC000095571267 563184512 /nfs/dbraw/zinc/18/45/12/563184512.db2.gz USOUOGHAMRDQBF-UHFFFAOYSA-N 1 2 439.784 6.933 3 0 IKAFLO COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)ccc1-n1c[nH+]c(C)c1 ZINC000095576050 563185825 /nfs/dbraw/zinc/18/58/25/563185825.db2.gz CBZHFCPGQAUEJE-UHFFFAOYSA-N 1 2 427.483 5.626 1 0 IKAFLO Cc1noc(-c2ccc3c(c2)c2c(n3CCCc3[nH]c4ccc(F)cc4[nH+]3)CCCC2)n1 ZINC000095578801 563186791 /nfs/dbraw/zinc/18/67/91/563186791.db2.gz JMLCWQHQLCPWBU-UHFFFAOYSA-N 1 2 429.499 5.527 1 0 IKAFLO COc1cc(/C=C2\CCCN3C2=NOC[C@]3(C)c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000095579873 563187203 /nfs/dbraw/zinc/18/72/03/563187203.db2.gz GKXRXBPNFZXEEM-MMINWYLUSA-N 1 2 446.526 5.067 1 0 IKAFLO Clc1ccc(-c2nc3ccccc3n2-c2cc[nH+]c(NC3CCOCC3)n2)cc1Cl ZINC000095589249 563189535 /nfs/dbraw/zinc/18/95/35/563189535.db2.gz NUBHHICZZNJVSS-UHFFFAOYSA-N 1 2 440.334 5.380 1 0 IKAFLO Oc1ccc2nc(-c3ccc4ccccc4c3)n(-c3cc[nH+]c(NC4CCCCC4)n3)c2c1 ZINC000095589230 563189566 /nfs/dbraw/zinc/18/95/66/563189566.db2.gz NDZUGGRYLOMQOG-UHFFFAOYSA-N 1 2 435.531 6.086 1 0 IKAFLO CNc1nc[nH+]c(N)c1N(C=O)C/C=C(\C)CC/C=C(\C)CC[C@@]1(C)C(C)=CCC[C@@H]1C ZINC000095589573 563189692 /nfs/dbraw/zinc/18/96/92/563189692.db2.gz NFOOQBRCQVDNGM-BEHXQNNVSA-N 1 2 439.648 5.899 1 0 IKAFLO CNc1[nH+]cnc(N)c1N(C=O)C/C=C(\C)CC/C=C(\C)CC[C@@]1(C)C(C)=CCC[C@@H]1C ZINC000095589573 563189693 /nfs/dbraw/zinc/18/96/93/563189693.db2.gz NFOOQBRCQVDNGM-BEHXQNNVSA-N 1 2 439.648 5.899 1 0 IKAFLO Cc1[nH+]ccc2c3ccc(OCCCc4ccccc4)cc3n(CCCc3ccccc3)c21 ZINC000095596971 563191678 /nfs/dbraw/zinc/19/16/78/563191678.db2.gz RSKBTIRFCXOTGU-UHFFFAOYSA-N 1 2 434.583 7.142 1 0 IKAFLO COc1cc(/C=C2\CCCN3CC[C@H](c4ccccc4)ON=C23)ccc1-n1c[nH+]c(C)c1 ZINC000095597699 563191972 /nfs/dbraw/zinc/19/19/72/563191972.db2.gz DQOYEQSNDJFFKT-WLGHQHAYSA-N 1 2 428.536 5.144 1 0 IKAFLO COc1ccc([C@@H](C(=O)Nc2c(C)cccc2C)[NH+]2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000095598987 563192339 /nfs/dbraw/zinc/19/23/39/563192339.db2.gz ZZIVHQFJOFEFFT-MHZLTWQESA-N 1 2 443.591 5.122 3 0 IKAFLO Cc1ccc(N2CC[NH+]([C@H](C(=O)Nc3c(C)cccc3C)c3cccc(F)c3)CC2)cc1 ZINC000095605370 563193956 /nfs/dbraw/zinc/19/39/56/563193956.db2.gz SXJVHIKQPXQUQC-SANMLTNESA-N 1 2 431.555 5.253 3 0 IKAFLO Cc1ccc(N2CC[NH+]([C@@H](C(=O)Nc3c(C)cccc3C)c3cccc(F)c3)CC2)cc1 ZINC000095605371 563193983 /nfs/dbraw/zinc/19/39/83/563193983.db2.gz SXJVHIKQPXQUQC-AREMUKBSSA-N 1 2 431.555 5.253 3 0 IKAFLO Cc1nc2cc(Oc3ccc(-c4[nH+]c(C5CCC5)n5ccnc(N)c45)cc3)ccc2s1 ZINC000096168231 563195197 /nfs/dbraw/zinc/19/51/97/563195197.db2.gz BAFWSNSFTKAINX-UHFFFAOYSA-N 1 2 427.533 5.956 1 0 IKAFLO Nc1nccn2c(C3CCC3)[nH+]c(-c3ccc(Oc4cccc(-c5ccccc5)c4)cc3)c12 ZINC000096168230 563195226 /nfs/dbraw/zinc/19/52/26/563195226.db2.gz OZNIPNOUKHBEBT-UHFFFAOYSA-N 1 2 432.527 6.705 1 0 IKAFLO Cn1c2ccccc2[nH+]c1N1CCC2(CCCN(Cc3cccc4ccccc43)C2=O)CC1 ZINC000096173050 563195725 /nfs/dbraw/zinc/19/57/25/563195725.db2.gz NCTTZLPSBICNBE-UHFFFAOYSA-N 1 2 438.575 5.136 1 0 IKAFLO NC(=O)c1c(N2CCCCC2)cc(-c2ccc(Br)cc2)[nH+]c1-c1ccccc1 ZINC000096932228 563198805 /nfs/dbraw/zinc/19/88/05/563198805.db2.gz IEVUNGKXTAPNJR-UHFFFAOYSA-N 1 2 436.353 5.267 1 0 IKAFLO CSc1[nH]c2cc3c(cc2[nH+]1)N(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3 ZINC000013451091 132347014 /nfs/dbraw/zinc/34/70/14/132347014.db2.gz WCNVWOCWRJCMQZ-UHFFFAOYSA-N 1 2 449.601 5.070 1 0 IKAFLO O=C(CCCc1cccc2[nH]c3c(c21)C[N@H+](Cc1ccccc1)CC3)c1ccc(F)cc1 ZINC000001640497 562923506 /nfs/dbraw/zinc/92/35/06/562923506.db2.gz OUZXIFNBBDHINU-UHFFFAOYSA-N 1 2 426.535 6.071 1 0 IKAFLO O=C(CCCc1cccc2[nH]c3c(c21)C[N@@H+](Cc1ccccc1)CC3)c1ccc(F)cc1 ZINC000001640497 562923508 /nfs/dbraw/zinc/92/35/08/562923508.db2.gz OUZXIFNBBDHINU-UHFFFAOYSA-N 1 2 426.535 6.071 1 0 IKAFLO CC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1 ZINC000011753485 562979192 /nfs/dbraw/zinc/97/91/92/562979192.db2.gz BTZFKXILRHPYDW-XMMPIXPASA-N 1 2 429.520 5.070 3 0 IKAFLO CC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1 ZINC000011753485 562979193 /nfs/dbraw/zinc/97/91/93/562979193.db2.gz BTZFKXILRHPYDW-XMMPIXPASA-N 1 2 429.520 5.070 3 0 IKAFLO CCCc1[nH+]c(N(C)c2ccc(Cl)cc2Cl)n2ccnc(N(CCC)CCC)c12 ZINC000013437379 562986070 /nfs/dbraw/zinc/98/60/70/562986070.db2.gz YWBPNWTZKONDAO-UHFFFAOYSA-N 1 2 434.415 6.383 1 0 IKAFLO COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3c[nH+]c([C@H](O)C(C)C)n32)c1OC ZINC000013441521 562986352 /nfs/dbraw/zinc/98/63/52/562986352.db2.gz WCAVDBXLKQOHQF-HXUWFJFHSA-N 1 2 440.931 5.295 1 0 IKAFLO CCCCCC(=O)c1ccc(OCCC[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)cc1 ZINC000013444603 562986726 /nfs/dbraw/zinc/98/67/26/562986726.db2.gz VJAQRKGFVIGFJD-UHFFFAOYSA-N 1 2 442.625 5.046 1 0 IKAFLO CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)NC)CC1 ZINC000013455582 562987600 /nfs/dbraw/zinc/98/76/00/562987600.db2.gz LQLJVDXDUMLJJC-MSOLQXFVSA-N 1 2 428.617 5.088 1 0 IKAFLO CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)NC)CC1 ZINC000013455582 562987601 /nfs/dbraw/zinc/98/76/01/562987601.db2.gz LQLJVDXDUMLJJC-MSOLQXFVSA-N 1 2 428.617 5.088 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)Nc4ccc(C)cc4)cc3)c2cc1OC ZINC000013610093 562997657 /nfs/dbraw/zinc/99/76/57/562997657.db2.gz ARFSBNIXMVQEPO-UHFFFAOYSA-N 1 2 429.476 5.997 1 0 IKAFLO COC(=O)c1ccccc1-c1ccc(CNc2[nH+]cccc2NC(=O)CC(F)(F)F)cc1 ZINC000013681576 563000928 /nfs/dbraw/zinc/00/09/28/563000928.db2.gz KHOQTIOVNITGFA-UHFFFAOYSA-N 1 2 443.425 5.038 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)NCCC4CCCCC4)cc3)c2cc1OC ZINC000013684337 563001103 /nfs/dbraw/zinc/00/11/03/563001103.db2.gz UYKAWFPHLALKPV-UHFFFAOYSA-N 1 2 449.551 6.136 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=S)NC4CCCCC4)cc3)c2cc1OC ZINC000013684345 563001113 /nfs/dbraw/zinc/00/11/13/563001113.db2.gz JGKOYZSEGMIFTB-UHFFFAOYSA-N 1 2 437.565 5.663 1 0 IKAFLO CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cc(OC)ccc2[nH+]1 ZINC000013728679 563001479 /nfs/dbraw/zinc/00/14/79/563001479.db2.gz VRBGNMLKAUIIEZ-UHFFFAOYSA-N 1 2 437.503 5.232 1 0 IKAFLO Clc1sccc1CO[C@H]1c2cc(Cl)c(Cl)cc2S[C@@H]1Cn1cc[nH+]c1 ZINC000013775767 563005666 /nfs/dbraw/zinc/00/56/66/563005666.db2.gz YEHKRXJFFRNTNF-CVEARBPZSA-N 1 2 431.797 6.337 1 0 IKAFLO Clc1ccc2c(c1)[C@H](OCc1ccc(Cl)cc1Cl)[C@@H](Cn1cc[nH+]c1)S2 ZINC000013775781 563005702 /nfs/dbraw/zinc/00/57/02/563005702.db2.gz QUQDOQTVANCRAB-MOPGFXCFSA-N 1 2 425.768 6.276 1 0 IKAFLO Clc1sc2ccccc2c1CO[C@@H]1c2ccc(Cl)cc2S[C@@H]1Cn1cc[nH+]c1 ZINC000013775776 563005738 /nfs/dbraw/zinc/00/57/38/563005738.db2.gz BRPJSQZYCDIZHG-WOJBJXKFSA-N 1 2 447.412 6.837 1 0 IKAFLO Clc1ccc2c(c1)[C@@H](OCc1c(Cl)cccc1Cl)[C@H](Cn1cc[nH+]c1)S2 ZINC000013775787 563005753 /nfs/dbraw/zinc/00/57/53/563005753.db2.gz ZAALNFSOYYCKNV-RBUKOAKNSA-N 1 2 425.768 6.276 1 0 IKAFLO O=C(/C=C/c1cccc(Sc2ccc(Cl)cc2Cl)c1)NCCCn1cc[nH+]c1 ZINC000013814780 563009183 /nfs/dbraw/zinc/00/91/83/563009183.db2.gz ZMNYLLRCGCLLBE-VMPITWQZSA-N 1 2 432.376 5.561 1 0 IKAFLO CCCCCNC(=O)Nc1c(F)cccc1OCCCn1c[nH+]c(-c2ccccc2)c1C ZINC000013827662 563010701 /nfs/dbraw/zinc/01/07/01/563010701.db2.gz ZPNGQLCFZQUSLZ-UHFFFAOYSA-N 1 2 438.547 5.778 1 0 IKAFLO CCCCc1[nH+]c2cccc(OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828037 563010850 /nfs/dbraw/zinc/01/08/50/563010850.db2.gz ACZMKFZUWWULIT-UHFFFAOYSA-N 1 2 438.535 5.283 1 0 IKAFLO Nc1nc2[nH]c(Cc3cccc4ccccc43)cc2c(Nc2cccc(Br)c2)[nH+]1 ZINC000013859512 563012382 /nfs/dbraw/zinc/01/23/82/563012382.db2.gz LAYLTVRTYJGALT-UHFFFAOYSA-N 1 2 444.336 5.790 1 0 IKAFLO Cc1ccc(S[C@H](C)C=CN[NH+]=C2NN=C(c3ccccc3)[C@H](c3ccccc3)N2)cc1 ZINC000017210766 563021677 /nfs/dbraw/zinc/02/16/77/563021677.db2.gz XVFLOSRILJBFTA-RQTXVRDTSA-N 1 2 441.604 5.188 1 0 IKAFLO Cc1ccc([C@@H](OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925526 563025852 /nfs/dbraw/zinc/02/58/52/563025852.db2.gz YXBBKRPEQRPZSX-IINUCZPTSA-N 1 2 426.604 5.432 1 0 IKAFLO Fc1ccc(/C=C/C[NH+]2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925584 563025860 /nfs/dbraw/zinc/02/58/60/563025860.db2.gz ZLMSKRWURWKHQQ-BQYQJAHWSA-N 1 2 430.567 5.263 1 0 IKAFLO COc1ccc(/C=C/C[NH+]2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022939441 563026831 /nfs/dbraw/zinc/02/68/31/563026831.db2.gz IMFCLGVHCSVYJJ-CMDGGOBGSA-N 1 2 442.603 5.132 1 0 IKAFLO O=C(c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000026007553 563028361 /nfs/dbraw/zinc/02/83/61/563028361.db2.gz SYEUQIGXCDKCFF-GOSISDBHSA-N 1 2 430.118 5.267 1 0 IKAFLO COc1ccc(Cl)c([C@H]2NCC[NH2+][C@H]2c2c(Cl)ccc(OC)c2Cl)c1Cl ZINC000026403989 563031921 /nfs/dbraw/zinc/03/19/21/563031921.db2.gz YCTMJLMEPRMYJS-HDICACEKSA-N 1 2 436.166 5.293 1 0 IKAFLO COc1ccc(Cl)c([C@H]2[NH2+]CCN[C@H]2c2c(Cl)ccc(OC)c2Cl)c1Cl ZINC000026403989 563031922 /nfs/dbraw/zinc/03/19/22/563031922.db2.gz YCTMJLMEPRMYJS-HDICACEKSA-N 1 2 436.166 5.293 1 0 IKAFLO Clc1ccc([C@H](c2c[nH]cc2-c2ccc(-c3ccccc3)cc2)n2cc[nH+]c2)c(Cl)c1 ZINC000026653359 563034715 /nfs/dbraw/zinc/03/47/15/563034715.db2.gz GGBXYXPRVQOMBV-AREMUKBSSA-N 1 2 444.365 7.490 1 0 IKAFLO COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1[nH+]ccn1CC1CC1 ZINC000027195493 563040508 /nfs/dbraw/zinc/04/05/08/563040508.db2.gz FCUBYXTWVKQIQR-UHFFFAOYSA-N 1 2 445.788 6.170 1 0 IKAFLO COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1[nH+]cc2n1CCCC2 ZINC000027202112 563040597 /nfs/dbraw/zinc/04/05/97/563040597.db2.gz OJFFBUZMVOTYGQ-UHFFFAOYSA-N 1 2 445.788 6.096 1 0 IKAFLO COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1[nH+]cc2n1CCC2 ZINC000027206464 563040816 /nfs/dbraw/zinc/04/08/16/563040816.db2.gz KNRJCPYPHIBVAV-UHFFFAOYSA-N 1 2 431.761 5.706 1 0 IKAFLO Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)c(Cl)c2)n2cc[nH+]c2)cc1Cl ZINC000027420385 563042018 /nfs/dbraw/zinc/04/20/18/563042018.db2.gz KEGZFTOUDFMRBB-HXUWFJFHSA-N 1 2 437.157 7.130 1 0 IKAFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@H](/C=C/c2ccccc2OC)C1C(=O)OCC ZINC000027523207 563042930 /nfs/dbraw/zinc/04/29/30/563042930.db2.gz OGMGJMNDWROISI-JLZMEPDQSA-N 1 2 447.531 5.580 1 0 IKAFLO C=C1[NH+]=C(c2ccc(OC)cc2)C(C(=O)OCC)[C@H](/C=C/c2ccccc2)C1C(=O)OCC ZINC000027525529 563043145 /nfs/dbraw/zinc/04/31/45/563043145.db2.gz CFWJOMHDLLNRDC-NKFDLHOLSA-N 1 2 447.531 5.580 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(Nc4cccc(-c5ccccc5)c4)cc3)c2cc1OC ZINC000028000834 563049254 /nfs/dbraw/zinc/04/92/54/563049254.db2.gz VFKPRDPHVLFEKY-UHFFFAOYSA-N 1 2 448.522 7.455 1 0 IKAFLO FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1C[N@H+]1CC=CCC1 ZINC000028123354 563051124 /nfs/dbraw/zinc/05/11/24/563051124.db2.gz SERWOVULUSIEME-UHFFFAOYSA-N 1 2 442.721 6.628 1 0 IKAFLO FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1C[N@@H+]1CC=CCC1 ZINC000028123354 563051125 /nfs/dbraw/zinc/05/11/25/563051125.db2.gz SERWOVULUSIEME-UHFFFAOYSA-N 1 2 442.721 6.628 1 0 IKAFLO CC[C@@H](C)c1[nH+]cc([C@@H](O)C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569295 563058831 /nfs/dbraw/zinc/05/88/31/563058831.db2.gz KIYFWZZYGGXOPQ-WBMJQRKESA-N 1 2 438.412 5.387 1 0 IKAFLO Cc1ccc2c(c1)N(c1ccc(NCc3[nH]cc[nH+]3)cc1)C(=O)N(C)N=C2C1CCCCC1 ZINC000028711898 563062753 /nfs/dbraw/zinc/06/27/53/563062753.db2.gz MQYVWGMOEQXUEZ-UHFFFAOYSA-N 1 2 442.567 5.818 1 0 IKAFLO COc1ccc(CC[C@@H]2CO[C@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028768634 563064221 /nfs/dbraw/zinc/06/42/21/563064221.db2.gz FKNBVWMLDHPIHH-KNQAVFIVSA-N 1 2 433.335 5.100 1 0 IKAFLO O=C(Nc1ccccc1)c1c(-c2ccccc2)n(Cc2ccccc2)c2[nH+]c3ccccc3n12 ZINC000028968366 563071054 /nfs/dbraw/zinc/07/10/54/563071054.db2.gz DLFMEDQRKKSUAR-UHFFFAOYSA-N 1 2 442.522 6.257 1 0 IKAFLO CSc1ccc([C@H](c2cccs2)c2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC000029130624 563075565 /nfs/dbraw/zinc/07/55/65/563075565.db2.gz WDEMFHFUAYYOCX-XMMPIXPASA-N 1 2 425.619 5.361 1 0 IKAFLO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)Nc4[nH+]c5ccccc5cc4C[C@@H]32)C1 ZINC000031829662 563083568 /nfs/dbraw/zinc/08/35/68/563083568.db2.gz HVLLZGCXBUCKJF-UAGBHOFDSA-N 1 2 430.592 6.056 1 0 IKAFLO Clc1ccc([C@H](COc2ccc(Br)cc2)Cn2cc[nH+]c2)c(Cl)c1 ZINC000033493821 563084506 /nfs/dbraw/zinc/08/45/06/563084506.db2.gz HUFOMRFPRSVNOQ-ZDUSSCGKSA-N 1 2 426.141 5.815 1 0 IKAFLO CC(C)(C)n1nc(-c2cccc(OCc3c(Cl)cccc3Cl)c2)c2c1nc[nH+]c2N ZINC000034047707 563085449 /nfs/dbraw/zinc/08/54/49/563085449.db2.gz BMSUFHWQIJKJFR-UHFFFAOYSA-N 1 2 442.350 5.716 1 0 IKAFLO CCCCc1c(-c2ccccc2Oc2ccccc2)[nH+]cn1CCc1ccccc1OC ZINC000034661628 563086899 /nfs/dbraw/zinc/08/68/99/563086899.db2.gz DJTAFCDLBBNLNE-UHFFFAOYSA-N 1 2 426.560 6.936 1 0 IKAFLO C/C=C1/C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1Cc1nccc2c3cc(O)ccc3[nH]c21 ZINC000038841133 563098438 /nfs/dbraw/zinc/09/84/38/563098438.db2.gz UXVNNVWPICKMTE-JKCZZUPASA-N 1 2 448.570 6.011 1 0 IKAFLO C/C=C1/C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1Cc1nccc2c3cc(O)ccc3[nH]c21 ZINC000038841133 563098440 /nfs/dbraw/zinc/09/84/40/563098440.db2.gz UXVNNVWPICKMTE-JKCZZUPASA-N 1 2 448.570 6.011 1 0 IKAFLO O=C(O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000039233050 563098872 /nfs/dbraw/zinc/09/88/72/563098872.db2.gz GTJGKVOCMBQPQR-QGZVFWFLSA-N 1 2 430.118 6.095 1 0 IKAFLO Clc1ccc(CC[C@@]2(Cn3cc[nH+]c3)OC[C@@H](CSc3ccc(Cl)cc3)O2)cc1 ZINC000039396934 563099210 /nfs/dbraw/zinc/09/92/10/563099210.db2.gz ZNMLLEJYHQBEFI-RBBKRZOGSA-N 1 2 449.403 5.727 1 0 IKAFLO COC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccccc2Cl)cc1-c1ccccc1 ZINC000040424455 563102954 /nfs/dbraw/zinc/10/29/54/563102954.db2.gz GGWQTDSZAORLGI-UHFFFAOYSA-N 1 2 431.923 5.651 1 0 IKAFLO CCCC[NH+](CCCC)CCOc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O ZINC000040430609 563103426 /nfs/dbraw/zinc/10/34/26/563103426.db2.gz PAAXKEIJIYHRCZ-UHFFFAOYSA-N 1 2 425.525 5.152 1 0 IKAFLO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2[nH]c(N3CCCC3)[nH+]c2c1 ZINC000040575423 563105204 /nfs/dbraw/zinc/10/52/04/563105204.db2.gz XZVGIPQQAGNDJX-UHFFFAOYSA-N 1 2 447.951 5.244 1 0 IKAFLO c1ccc2c(c1)c1ccccc1n2CCCCN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000040847994 563107711 /nfs/dbraw/zinc/10/77/11/563107711.db2.gz GGLOINTWOWDJOP-UHFFFAOYSA-N 1 2 447.626 6.546 1 0 IKAFLO CN(c1[nH]c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2[nH+]1)C1CCCC1 ZINC000040937281 563112922 /nfs/dbraw/zinc/11/29/22/563112922.db2.gz WMKQOFZKQKGZAQ-UHFFFAOYSA-N 1 2 430.474 5.532 1 0 IKAFLO CN(c1[nH]c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2[nH+]1)C1CCCCC1 ZINC000040937556 563113038 /nfs/dbraw/zinc/11/30/38/563113038.db2.gz RPHDHNYYAQYXLM-UHFFFAOYSA-N 1 2 444.501 5.922 1 0 IKAFLO CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH+]c(N[C@H](C)CCc3ccccc3)c2)[nH]1 ZINC000040955996 563114658 /nfs/dbraw/zinc/11/46/58/563114658.db2.gz GOUYVNZKESXWSQ-QGZVFWFLSA-N 1 2 432.568 6.433 1 0 IKAFLO CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH+]c(N[C@@H]3CCCc4ccccc43)c2)[nH]1 ZINC000040957073 563114842 /nfs/dbraw/zinc/11/48/42/563114842.db2.gz VRFQIBYIEAYTBZ-OAQYLSRUSA-N 1 2 430.552 6.489 1 0 IKAFLO Nc1ccc(NC(=O)c2c3onc(Nc4cccc(C(F)(F)F)c4)c3ccc2Cl)c[nH+]1 ZINC000042890834 563116083 /nfs/dbraw/zinc/11/60/83/563116083.db2.gz WVYGRJBDUQOBBG-UHFFFAOYSA-N 1 2 447.804 5.473 1 0 IKAFLO CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2cccc(C)c2[nH+]1 ZINC000045260105 563127647 /nfs/dbraw/zinc/12/76/47/563127647.db2.gz MHNXYZVWDASRHS-UHFFFAOYSA-N 1 2 431.927 5.498 1 0 IKAFLO Nc1nc(SCCc2ccccc2)nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000045285766 563128277 /nfs/dbraw/zinc/12/82/77/563128277.db2.gz RUVWHRYGBDXLEG-UHFFFAOYSA-N 1 2 432.618 5.167 1 0 IKAFLO Nc1nc(SCCc2ccccc2)nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000045285766 563128279 /nfs/dbraw/zinc/12/82/79/563128279.db2.gz RUVWHRYGBDXLEG-UHFFFAOYSA-N 1 2 432.618 5.167 1 0 IKAFLO C[C@H](c1ccccc1)[N@@H+]1CCC(=O)[C@]2(C1)ON=C(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000045300870 563129197 /nfs/dbraw/zinc/12/91/97/563129197.db2.gz GMOOLQDMTQYHGO-JRLVAEJTSA-N 1 2 444.962 5.633 1 0 IKAFLO C[C@H](c1ccccc1)[N@H+]1CCC(=O)[C@]2(C1)ON=C(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000045300870 563129198 /nfs/dbraw/zinc/12/91/98/563129198.db2.gz GMOOLQDMTQYHGO-JRLVAEJTSA-N 1 2 444.962 5.633 1 0 IKAFLO COc1ccc(OC)c(Cc2cc3c(nc[nH+]c3Nc3cccc(Br)c3)[nH]2)c1 ZINC000049113060 563138495 /nfs/dbraw/zinc/13/84/95/563138495.db2.gz IXGXJNXPVJEGDV-UHFFFAOYSA-N 1 2 439.313 5.072 1 0 IKAFLO CC(C)Oc1ccc(C[N@@H+]2CC[C@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000061927051 563150115 /nfs/dbraw/zinc/15/01/15/563150115.db2.gz KCFGGDOJSSEGGS-HHHXNRCGSA-N 1 2 430.548 5.869 3 0 IKAFLO CC(C)Oc1ccc(C[N@H+]2CC[C@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000061927051 563150116 /nfs/dbraw/zinc/15/01/16/563150116.db2.gz KCFGGDOJSSEGGS-HHHXNRCGSA-N 1 2 430.548 5.869 3 0 IKAFLO O=C1OC2(CN1c1ccccc1F)CCC(c1[nH]c3ccc(OC(F)(F)F)cc3[nH+]1)CC2 ZINC000064548876 563155501 /nfs/dbraw/zinc/15/55/01/563155501.db2.gz FFHHVAVTPWLQJT-UHFFFAOYSA-N 1 2 449.404 5.654 1 0 IKAFLO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c[nH+]ccc2n3C(=O)OC(C)(C)C)cc1 ZINC000064559324 563155963 /nfs/dbraw/zinc/15/59/63/563155963.db2.gz NYSLZWFXKUPUMN-UHFFFAOYSA-N 1 2 437.521 5.082 1 0 IKAFLO Cc1ncccc1N1CC2(CCC(c3[nH]c4ccc(OC(F)(F)F)cc4[nH+]3)CC2)OC1=O ZINC000064573624 563156493 /nfs/dbraw/zinc/15/64/93/563156493.db2.gz BXUWIRFXQNUOEB-UHFFFAOYSA-N 1 2 446.429 5.218 1 0 IKAFLO FC(F)(F)Oc1ccccc1C[NH2+]Cc1coc(-c2ccc(Br)cc2)n1 ZINC000072142368 563164694 /nfs/dbraw/zinc/16/46/94/563164694.db2.gz VFOMLMYONBQUPE-UHFFFAOYSA-N 1 2 427.220 5.293 1 0 IKAFLO CCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072108607 563163170 /nfs/dbraw/zinc/16/31/70/563163170.db2.gz PGTZWGWGXZPIHL-QHCPKHFHSA-N 1 2 448.320 5.380 1 0 IKAFLO Cc1cn(-c2ccc(-c3ccc(N[C@@H](C)c4ccc(F)cc4)nc3)cc2-c2ccccc2)c[nH+]1 ZINC000072176477 563165710 /nfs/dbraw/zinc/16/57/10/563165710.db2.gz AJQPFWLUWDHKQO-NRFANRHFSA-N 1 2 448.545 7.222 1 0 IKAFLO Cc1ccccc1-c1ccc2[nH+]c(N)c(C[C@@H](C(=O)NCC3CCCCC3)C(C)C)cc2c1 ZINC000072177453 563166024 /nfs/dbraw/zinc/16/60/24/563166024.db2.gz MUOYKKPOPPKXNF-AREMUKBSSA-N 1 2 443.635 6.304 1 0 IKAFLO O=C(O[C@@H](Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000073198569 563170073 /nfs/dbraw/zinc/17/00/73/563170073.db2.gz FTGIKYUPZVKOCF-KRWDZBQOSA-N 1 2 428.332 5.519 1 0 IKAFLO COc1ccc2c(c1)[nH+]c([C@H](C)c1ccc(CC(C)C)cc1)n2Cc1ccccc1Cl ZINC000084713234 563177760 /nfs/dbraw/zinc/17/77/60/563177760.db2.gz JPEJCNWUFQHFCB-LJQANCHMSA-N 1 2 432.995 7.097 1 0 IKAFLO Cc1cc2[nH+]c(-c3ccccc3)c(Cc3cccc(Cl)c3)n2c(C)c1Br ZINC000095566278 563183493 /nfs/dbraw/zinc/18/34/93/563183493.db2.gz ABSYBJLHAITPCG-UHFFFAOYSA-N 1 2 425.757 6.625 3 0 IKAFLO COc1ccc(Cc2c(C3CCCCC3)[nH+]c3cc(C)c(Br)c(C)n32)c(C)c1 ZINC000095571266 563184533 /nfs/dbraw/zinc/18/45/33/563184533.db2.gz DIFZNLAAQRZZEW-UHFFFAOYSA-N 1 2 441.413 6.669 3 0 IKAFLO COc1cccc(-n2nc3c(cccc3Nc3ccc(-n4c[nH+]c(C)c4)c(OC)c3)c2C)c1 ZINC000095573367 563185011 /nfs/dbraw/zinc/18/50/11/563185011.db2.gz HHCGWONBKCJWOU-UHFFFAOYSA-N 1 2 439.519 5.589 1 0 IKAFLO COc1cc(Nc2cccc3cn(Cc4ccc(F)cc4)nc32)ccc1-n1c[nH+]c(C)c1 ZINC000095576401 563185936 /nfs/dbraw/zinc/18/59/36/563185936.db2.gz UOTIXMXOYZCICU-UHFFFAOYSA-N 1 2 427.483 5.470 1 0 IKAFLO COc1cccc(-c2cn3cccc(Nc4ccc(-n5c[nH+]c(C)c5)c(OC)c4)c3n2)c1 ZINC000095577078 563186169 /nfs/dbraw/zinc/18/61/69/563186169.db2.gz KKTKXODALPAAFH-UHFFFAOYSA-N 1 2 425.492 5.256 1 0 IKAFLO COc1cc([C@@H]2C[C@]23CCCN([C@@H](C)c2ccc(F)cc2)C3=O)ccc1-n1c[nH+]c(C)c1 ZINC000095578921 563186903 /nfs/dbraw/zinc/18/69/03/563186903.db2.gz CINAODWEFYFMCD-HBTLOVQCSA-N 1 2 433.527 5.186 1 0 IKAFLO COc1cccc(-n2cc3cccc(Nc4ccc(-n5c[nH+]c(C)c5)c(OC)c4)c3n2)c1 ZINC000095580247 563187292 /nfs/dbraw/zinc/18/72/92/563187292.db2.gz DKRNLLWDQREMQK-UHFFFAOYSA-N 1 2 425.492 5.280 1 0 IKAFLO CNc1nc[nH+]c(N)c1N(C=O)C/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21 ZINC000095591285 563190271 /nfs/dbraw/zinc/19/02/71/563190271.db2.gz SGKIRYPVJGUSPZ-FGOPRVDBSA-N 1 2 439.648 5.589 1 0 IKAFLO CNc1[nH+]cnc(N)c1N(C=O)C/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21 ZINC000095591285 563190272 /nfs/dbraw/zinc/19/02/72/563190272.db2.gz SGKIRYPVJGUSPZ-FGOPRVDBSA-N 1 2 439.648 5.589 1 0 IKAFLO CC[NH+](CC)COc1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1 ZINC000096167829 563195187 /nfs/dbraw/zinc/19/51/87/563195187.db2.gz OATMOMPSJGICMV-UHFFFAOYSA-N 1 2 441.579 6.039 1 0 IKAFLO Nc1nccn2c(C3CCC3)[nH+]c(-c3ccc(Oc4cccc(OC(F)(F)F)c4)cc3)c12 ZINC000096168219 563195212 /nfs/dbraw/zinc/19/52/12/563195212.db2.gz XWQZOBQFOFEXTK-UHFFFAOYSA-N 1 2 440.425 5.937 1 0 IKAFLO CCN(CC)c1cc2[nH+]c(-c3ccccc3OC)[nH]c2cc1NC(=O)c1ccccc1OC ZINC000096928346 563198423 /nfs/dbraw/zinc/19/84/23/563198423.db2.gz MZCVAJFVNPTBKZ-UHFFFAOYSA-N 1 2 444.535 5.346 1 0 IKAFLO O=C1c2ccccc2C(=O)N1CCCNc1c2c3c(sc2[nH+]c2c1CCCC2)CCCC3 ZINC000098082252 563200506 /nfs/dbraw/zinc/20/05/06/563200506.db2.gz SKEMDMSTWWQHCA-UHFFFAOYSA-N 1 2 445.588 5.152 1 0 IKAFLO C[C@H]1C(=O)[C@H](C)[C@@H](c2cccc(Br)c2)[NH2+][C@@H]1c1cccc(Br)c1 ZINC000169297875 557201039 /nfs/dbraw/zinc/20/10/39/557201039.db2.gz QLAGUGWBFPPFDV-VVDPLQPHSA-N 1 2 437.175 5.439 1 0 IKAFLO COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3c[nH+]c([C@@H](O)C(C)C)n32)c1OC ZINC000013441519 562986290 /nfs/dbraw/zinc/98/62/90/562986290.db2.gz WCAVDBXLKQOHQF-FQEVSTJZSA-N 1 2 440.931 5.295 1 0 IKAFLO Clc1ccccc1N1CC[NH+](Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC000013491639 562990487 /nfs/dbraw/zinc/99/04/87/562990487.db2.gz ZOCYJFUKHOSYAG-UHFFFAOYSA-N 1 2 428.967 5.515 1 0 IKAFLO O=C(Cc1csc2ccccc12)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000013586766 562995418 /nfs/dbraw/zinc/99/54/18/562995418.db2.gz ZGXXRCHPJRBHFM-KRWDZBQOSA-N 1 2 433.404 5.531 1 0 IKAFLO O=C(Cc1csc2ccccc12)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000013586766 562995420 /nfs/dbraw/zinc/99/54/20/562995420.db2.gz ZGXXRCHPJRBHFM-KRWDZBQOSA-N 1 2 433.404 5.531 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3)c2cc1OC ZINC000013610107 562997771 /nfs/dbraw/zinc/99/77/71/562997771.db2.gz SFUSDJRVEVLCSW-UHFFFAOYSA-N 1 2 433.439 5.827 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c2cc1OC ZINC000013610111 562997800 /nfs/dbraw/zinc/99/78/00/562997800.db2.gz NHMWKPIXGXPWGN-UHFFFAOYSA-N 1 2 433.439 5.827 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c2cc1OC ZINC000013610119 562997806 /nfs/dbraw/zinc/99/78/06/562997806.db2.gz URESLPMFUBHALD-UHFFFAOYSA-N 1 2 449.894 6.342 1 0 IKAFLO CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccc(OC)cc2[nH+]1 ZINC000013728692 563001496 /nfs/dbraw/zinc/00/14/96/563001496.db2.gz CONFRUZBBKSUKV-UHFFFAOYSA-N 1 2 437.503 5.232 1 0 IKAFLO Clc1ccc(CO[C@H]2c3c(cc(Cl)cc3Cl)S[C@H]2Cn2cc[nH+]c2)cc1 ZINC000013775798 563005770 /nfs/dbraw/zinc/00/57/70/563005770.db2.gz HLISQAYPWNMIHC-PKOBYXMFSA-N 1 2 425.768 6.276 1 0 IKAFLO Clc1ccc2c(c1)[C@@H](OCc1ccc(Cl)cc1Cl)[C@@H](Cn1cc[nH+]c1)S2 ZINC000013775782 563005832 /nfs/dbraw/zinc/00/58/32/563005832.db2.gz QUQDOQTVANCRAB-RTBURBONSA-N 1 2 425.768 6.276 1 0 IKAFLO CCCCCNC(=O)Nc1c(O)cccc1OCCCn1c[nH+]c(-c2ccccc2)c1C ZINC000013827648 563010691 /nfs/dbraw/zinc/01/06/91/563010691.db2.gz SQCKDWZAWDDFCX-UHFFFAOYSA-N 1 2 436.556 5.345 1 0 IKAFLO CCCCCNC(=O)Nc1c(C)cccc1OCCCn1c[nH+]c(-c2ccccc2)c1C ZINC000013827642 563010699 /nfs/dbraw/zinc/01/06/99/563010699.db2.gz GMAAWWJMEUESCZ-UHFFFAOYSA-N 1 2 434.584 5.948 1 0 IKAFLO Fc1ccc([C@@H](OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925517 563025816 /nfs/dbraw/zinc/02/58/16/563025816.db2.gz MZWVASMORMKPEJ-WBYFNBFHSA-N 1 2 430.567 5.263 1 0 IKAFLO c1ccc(C(OCCN2CC[NH+](Cc3ccc4ccccc4n3)CC2)c2ccccc2)cc1 ZINC000022938643 563026610 /nfs/dbraw/zinc/02/66/10/563026610.db2.gz OWRMIHVAOORXAD-UHFFFAOYSA-N 1 2 437.587 5.159 1 0 IKAFLO O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N(Cc1c[nH+]c[nH]1)CC1CCCCC1 ZINC000026643838 563034482 /nfs/dbraw/zinc/03/44/82/563034482.db2.gz RMPIWQFGFXHWIX-UHFFFAOYSA-N 1 2 444.000 5.501 1 0 IKAFLO O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N(Cc1c[nH]c[nH+]1)CC1CCCCC1 ZINC000026643838 563034483 /nfs/dbraw/zinc/03/44/83/563034483.db2.gz RMPIWQFGFXHWIX-UHFFFAOYSA-N 1 2 444.000 5.501 1 0 IKAFLO CCn1cc(-c2ccc(Cl)cc2)c([C@@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)c1 ZINC000026663793 563035113 /nfs/dbraw/zinc/03/51/13/563035113.db2.gz OFUNZKRKGDGTFJ-JOCHJYFZSA-N 1 2 430.766 6.969 1 0 IKAFLO CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)N(C)C)CC1 ZINC000026666963 563035192 /nfs/dbraw/zinc/03/51/92/563035192.db2.gz ZRJKLVGIKAJOHF-OALUTQOASA-N 1 2 442.644 5.431 1 0 IKAFLO CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)N(C)C)CC1 ZINC000026666963 563035193 /nfs/dbraw/zinc/03/51/93/563035193.db2.gz ZRJKLVGIKAJOHF-OALUTQOASA-N 1 2 442.644 5.431 1 0 IKAFLO CCCCc1[nH+]c2cc(OC)c(OC)c(OC)c2c(-c2ccc(OC)c(OC)c2)c1C ZINC000026670952 563035390 /nfs/dbraw/zinc/03/53/90/563035390.db2.gz UVEBTOWNRMRBRX-UHFFFAOYSA-N 1 2 425.525 5.596 1 0 IKAFLO Cc1ccc(S(=O)(=O)n2cc([C@@H](c3ccccc3)n3cc[nH+]c3)c3ccccc32)cc1 ZINC000026996560 563038885 /nfs/dbraw/zinc/03/88/85/563038885.db2.gz XORQZPXHOQCAFD-RUZDIDTESA-N 1 2 427.529 5.021 1 0 IKAFLO COc1ccc(Br)cc1CCc1c(F)cccc1-c1[nH+]cc2n1CCCC2 ZINC000027202788 563040710 /nfs/dbraw/zinc/04/07/10/563040710.db2.gz VPQGFLQYAKHIFJ-UHFFFAOYSA-N 1 2 429.333 5.582 1 0 IKAFLO Cc1cc(C)c(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)c[nH+]1 ZINC000027312258 563041411 /nfs/dbraw/zinc/04/14/11/563041411.db2.gz XYDRPXPZSHKCFL-UHFFFAOYSA-N 1 2 435.637 6.048 1 0 IKAFLO Cc1cc(-c2c(F)cc3c(c2F)n(C2CC2)cc/c3=[NH+]\Sc2ccccn2)cc(C)n1 ZINC000027326897 563041597 /nfs/dbraw/zinc/04/15/97/563041597.db2.gz NTVPHUGGNXGBNQ-ZTKZIYFRSA-N 1 2 434.515 5.936 1 0 IKAFLO Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)c(Cl)c2)n2cc[nH+]c2)cc1Cl ZINC000027420380 563042057 /nfs/dbraw/zinc/04/20/57/563042057.db2.gz KEGZFTOUDFMRBB-FQEVSTJZSA-N 1 2 437.157 7.130 1 0 IKAFLO Clc1ccc([C@H](c2c[nH]cc2-c2ccc(Cl)c(Cl)c2)n2cc[nH+]c2)c(Cl)c1 ZINC000027421590 563042141 /nfs/dbraw/zinc/04/21/41/563042141.db2.gz VOZKRUYNVQHSHL-HXUWFJFHSA-N 1 2 437.157 7.130 1 0 IKAFLO Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(-n3cccc3)cc2)n2cc[nH+]c2)cc1Cl ZINC000027429094 563042298 /nfs/dbraw/zinc/04/22/98/563042298.db2.gz PIOGSIGDIAIBBK-DEOSSOPVSA-N 1 2 433.342 6.613 1 0 IKAFLO O=C(OCc1ccccc1)N1CCN(Cc2c[nH+]c[nH]2)c2ccc(-c3ccccc3)cc2C1 ZINC000027562218 563044308 /nfs/dbraw/zinc/04/43/08/563044308.db2.gz OTYQLOYRZGZQKJ-UHFFFAOYSA-N 1 2 438.531 5.236 1 0 IKAFLO O=C(OCc1ccccc1)N1CCN(Cc2c[nH]c[nH+]2)c2ccc(-c3ccccc3)cc2C1 ZINC000027562218 563044310 /nfs/dbraw/zinc/04/43/10/563044310.db2.gz OTYQLOYRZGZQKJ-UHFFFAOYSA-N 1 2 438.531 5.236 1 0 IKAFLO O=C(CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027719977 563045836 /nfs/dbraw/zinc/04/58/36/563045836.db2.gz RWEZXMOANWKHPD-UHFFFAOYSA-N 1 2 448.488 6.069 1 0 IKAFLO O=C(CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027719977 563045837 /nfs/dbraw/zinc/04/58/37/563045837.db2.gz RWEZXMOANWKHPD-UHFFFAOYSA-N 1 2 448.488 6.069 1 0 IKAFLO O=C(CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000027725101 563045963 /nfs/dbraw/zinc/04/59/63/563045963.db2.gz HBPGIGZPSUTPFZ-UHFFFAOYSA-N 1 2 448.488 6.069 1 0 IKAFLO O=C(CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000027725101 563045965 /nfs/dbraw/zinc/04/59/65/563045965.db2.gz HBPGIGZPSUTPFZ-UHFFFAOYSA-N 1 2 448.488 6.069 1 0 IKAFLO O=C(CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccccc1 ZINC000027726183 563046038 /nfs/dbraw/zinc/04/60/38/563046038.db2.gz HROHJOMKJYGXAS-UHFFFAOYSA-N 1 2 430.498 5.930 1 0 IKAFLO O=C(CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccccc1 ZINC000027726183 563046039 /nfs/dbraw/zinc/04/60/39/563046039.db2.gz HROHJOMKJYGXAS-UHFFFAOYSA-N 1 2 430.498 5.930 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c2cc1OC ZINC000027996000 563049039 /nfs/dbraw/zinc/04/90/39/563049039.db2.gz OMVNMDUDZWSHLS-UHFFFAOYSA-N 1 2 448.522 7.455 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)c2cc1OC ZINC000028003951 563049359 /nfs/dbraw/zinc/04/93/59/563049359.db2.gz MVGVLFQYGBJIBJ-UHFFFAOYSA-N 1 2 429.516 7.134 1 0 IKAFLO COc1cc(NS(C)(=O)=O)ccc1Nc1c2c([nH+]c3ccccc31)-c1ccccc1[C@H]2C ZINC000028264809 563052435 /nfs/dbraw/zinc/05/24/35/563052435.db2.gz KTAGYDFYEVETGX-OAHLLOKOSA-N 1 2 445.544 5.491 1 0 IKAFLO Cn1cc(-c2ccc(-n3cccc3)cc2)c([C@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)c1 ZINC000028467792 563055382 /nfs/dbraw/zinc/05/53/82/563055382.db2.gz DEKRDBRWCDKYAG-VWLOTQADSA-N 1 2 447.369 6.624 1 0 IKAFLO CCCn1cc(-c2ccc(Cl)cc2)c([C@@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)c1 ZINC000028473762 563055642 /nfs/dbraw/zinc/05/56/42/563055642.db2.gz GOIJKKQZIHTWJK-HSZRJFAPSA-N 1 2 444.793 7.360 1 0 IKAFLO Cn1c[nH+]cc1[C@](O)(c1ccccc1)c1ccc2ccn(-c3cccc4ccccc43)c2c1 ZINC000028523309 563056176 /nfs/dbraw/zinc/05/61/76/563056176.db2.gz ISMWSFRHVODFBY-LJAQVGFWSA-N 1 2 429.523 5.801 1 0 IKAFLO FC(F)(F)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4[nH]c[nH+]c4c3)n2)cc1 ZINC000028523316 563056193 /nfs/dbraw/zinc/05/61/93/563056193.db2.gz NQKABCULLZHVKS-UHFFFAOYSA-N 1 2 438.335 5.878 1 0 IKAFLO CC[C@H](C)c1[nH+]cc([C@@H](O)C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569296 563058803 /nfs/dbraw/zinc/05/88/03/563058803.db2.gz KIYFWZZYGGXOPQ-LRDDRELGSA-N 1 2 438.412 5.387 1 0 IKAFLO CCOC(=O)CCCCCCn1c(C)[nH+]c(-c2ccc(F)cc2)c1-c1ccc(F)cc1 ZINC000028821694 563065476 /nfs/dbraw/zinc/06/54/76/563065476.db2.gz BZNKOJZOSNRABX-UHFFFAOYSA-N 1 2 426.507 6.317 1 0 IKAFLO Cc1ccc2c(NC[C@@](O)(C[C@]3(C)CCCc4ccccc43)C(F)(F)F)cccc2[nH+]1 ZINC000028826275 563066465 /nfs/dbraw/zinc/06/64/65/563066465.db2.gz DHLZHFIJSYWCJK-ZEQRLZLVSA-N 1 2 428.498 5.933 1 0 IKAFLO Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1CN(C)Cc1ccncc1 ZINC000028903832 563069186 /nfs/dbraw/zinc/06/91/86/563069186.db2.gz OLTBZOFEOKPOBN-UHFFFAOYSA-N 1 2 444.970 5.279 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc4c(cccc4C(=O)NC4(C)CC4)c3)c2cc1OC ZINC000029133919 563075972 /nfs/dbraw/zinc/07/59/72/563075972.db2.gz IZZAJZCFAZXNDC-UHFFFAOYSA-N 1 2 428.488 5.480 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc4c(cccc4C(=O)NC(C)(C)C)c3)c2cc1OC ZINC000029133963 563076004 /nfs/dbraw/zinc/07/60/04/563076004.db2.gz BVNOQDUIZJMQNL-UHFFFAOYSA-N 1 2 430.504 5.726 1 0 IKAFLO COc1ccc([C@@H]2CC[C@@H](OCc3ccc(-n4c(C)[nH+]c5ccccc54)cc3)O2)cc1OC ZINC000029311225 563077482 /nfs/dbraw/zinc/07/74/82/563077482.db2.gz HJQFXLTXKOEJDR-IGKIAQTJSA-N 1 2 444.531 5.746 1 0 IKAFLO Cc1cc(-c2cc(-c3ccccc3)cc(N3CCC(Cc4ccccc4)CC3)[nH+]2)ccc1O ZINC000029568591 563082802 /nfs/dbraw/zinc/08/28/02/563082802.db2.gz HDMUCANUXXXLNX-UHFFFAOYSA-N 1 2 434.583 6.889 1 0 IKAFLO Clc1ccc2c(c1)N=C(N1CC[NH+](Cc3cccc4c3OCO4)CC1)c1ccccc1N2 ZINC000036089465 563091002 /nfs/dbraw/zinc/09/10/02/563091002.db2.gz NFKQELYFWQDRFN-UHFFFAOYSA-N 1 2 446.938 5.022 1 0 IKAFLO O=c1c(-c2ccc(C(F)(F)F)cc2)cccn1[C@@H](CN1C=CC=CC=[NH+]1)c1ccccc1 ZINC000036190475 563092021 /nfs/dbraw/zinc/09/20/21/563092021.db2.gz YITOFYWWKAQJCU-QHCPKHFHSA-N 1 2 435.449 5.495 1 0 IKAFLO COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cc(C)[nH+]c(C)c2[nH]1)C(F)(F)F ZINC000036426050 563095209 /nfs/dbraw/zinc/09/52/09/563095209.db2.gz CXXWEXDTTVWKSJ-JOCHJYFZSA-N 1 2 438.465 5.531 1 0 IKAFLO Cc1cc(Nc2ccc(OCCC(C)C)c(OCCC(C)C)c2)c2c3nc[nH]c3ccc2[nH+]1 ZINC000039214862 563098917 /nfs/dbraw/zinc/09/89/17/563098917.db2.gz TVWAIBXDEIIPOW-UHFFFAOYSA-N 1 2 446.595 7.013 1 0 IKAFLO COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1cc[nH+]c(NC2CCCCC2)c1 ZINC000040414511 563102026 /nfs/dbraw/zinc/10/20/26/563102026.db2.gz OOKDYIKDKLFLOG-UHFFFAOYSA-N 1 2 440.588 5.864 1 0 IKAFLO Cc1ccccc1[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCC2CCCCC2)CC1 ZINC000040421205 563102252 /nfs/dbraw/zinc/10/22/52/563102252.db2.gz LTCYWRLZUYNAQC-VWLOTQADSA-N 1 2 440.031 5.645 1 0 IKAFLO Cc1ccccc1[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000040423779 563102796 /nfs/dbraw/zinc/10/27/96/563102796.db2.gz OLLPWANHULOQCI-DEOSSOPVSA-N 1 2 426.004 5.398 1 0 IKAFLO Nc1scc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000040861846 563108158 /nfs/dbraw/zinc/10/81/58/563108158.db2.gz WTJJQPAIMDOFHJ-UHFFFAOYSA-N 1 2 446.403 5.190 1 0 IKAFLO CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH+]c(NCc3ccc(C(C)(C)C)cc3)c2)[nH]1 ZINC000040936083 563112750 /nfs/dbraw/zinc/11/27/50/563112750.db2.gz VHRJFSSFOYNUHL-UHFFFAOYSA-N 1 2 446.595 6.909 1 0 IKAFLO COC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccc(Cl)cc2)cc1-c1ccccc1 ZINC000040938122 563113135 /nfs/dbraw/zinc/11/31/35/563113135.db2.gz VBHDZMGTCYVBSV-UHFFFAOYSA-N 1 2 431.923 5.651 1 0 IKAFLO Clc1ccc(NCc2c[nH+]cn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000040973493 563115046 /nfs/dbraw/zinc/11/50/46/563115046.db2.gz ICESTFCFIAIMQG-UHFFFAOYSA-N 1 2 449.985 7.531 1 0 IKAFLO Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCC[N@@H+]2CCSC2)cc1 ZINC000040974278 563115097 /nfs/dbraw/zinc/11/50/97/563115097.db2.gz LKRTVYMJTLSROG-UHFFFAOYSA-N 1 2 434.540 5.002 1 0 IKAFLO Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCC[N@H+]2CCSC2)cc1 ZINC000040974278 563115098 /nfs/dbraw/zinc/11/50/98/563115098.db2.gz LKRTVYMJTLSROG-UHFFFAOYSA-N 1 2 434.540 5.002 1 0 IKAFLO Cc1cccc(N2CC3(CCC(c4[nH]c5ccc(OC(F)(F)F)cc5[nH+]4)CC3)OC2=O)n1 ZINC000043200812 563119460 /nfs/dbraw/zinc/11/94/60/563119460.db2.gz LAPTUSDQWPEELF-UHFFFAOYSA-N 1 2 446.429 5.218 1 0 IKAFLO O=c1cc(NCC[C@@H]2CC=CC[N@H+]2Cc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 ZINC000045167489 563122374 /nfs/dbraw/zinc/12/23/74/563122374.db2.gz FUXMCEXQNHCLQI-KRWDZBQOSA-N 1 2 428.363 5.468 1 0 IKAFLO O=c1cc(NCC[C@@H]2CC=CC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 ZINC000045167489 563122375 /nfs/dbraw/zinc/12/23/75/563122375.db2.gz FUXMCEXQNHCLQI-KRWDZBQOSA-N 1 2 428.363 5.468 1 0 IKAFLO O=C(c1cncc(-c2ccccc2)c1)N(Cc1c[nH+]cn1Cc1ccccc1F)CC1CC1 ZINC000045189064 563123190 /nfs/dbraw/zinc/12/31/90/563123190.db2.gz NCFPFLYIDHLJTM-UHFFFAOYSA-N 1 2 440.522 5.185 1 0 IKAFLO COCC[NH+]1CCN(Cc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)cc2)CC1 ZINC000045190676 563123605 /nfs/dbraw/zinc/12/36/05/563123605.db2.gz OXKZOXGTAOXBAL-UHFFFAOYSA-N 1 2 446.620 5.031 1 0 IKAFLO COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1C[NH+]1CCN(C)CC1 ZINC000045202865 563125038 /nfs/dbraw/zinc/12/50/38/563125038.db2.gz OXQYVNYPNXVJCC-UHFFFAOYSA-N 1 2 449.982 5.015 1 0 IKAFLO CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)oc(=O)c1c2CC[N@H+](Cc2ccccc2)C1 ZINC000045202578 563125110 /nfs/dbraw/zinc/12/51/10/563125110.db2.gz UOFOOSVHSIWUSB-PMACEKPBSA-N 1 2 433.592 6.377 1 0 IKAFLO CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)oc(=O)c1c2CC[N@@H+](Cc2ccccc2)C1 ZINC000045202578 563125111 /nfs/dbraw/zinc/12/51/11/563125111.db2.gz UOFOOSVHSIWUSB-PMACEKPBSA-N 1 2 433.592 6.377 1 0 IKAFLO CCc1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4ccc(C)s4)CC3)cc2)cc1 ZINC000045335576 563131274 /nfs/dbraw/zinc/13/12/74/563131274.db2.gz DNSWTHMJBNREMD-UHFFFAOYSA-N 1 2 447.648 5.579 1 0 IKAFLO CCc1ccc(NC(=O)c2ccc(C[N@H+]3CCCN(Cc4ccc(C)s4)CC3)cc2)cc1 ZINC000045335576 563131275 /nfs/dbraw/zinc/13/12/75/563131275.db2.gz DNSWTHMJBNREMD-UHFFFAOYSA-N 1 2 447.648 5.579 1 0 IKAFLO Cc1[nH+]c2ccccc2n1C[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000045368570 563133261 /nfs/dbraw/zinc/13/32/61/563133261.db2.gz CKQNYOZESJFGOP-QGZVFWFLSA-N 1 2 439.359 5.664 1 0 IKAFLO NC(=O)c1ccc2c(c1)[nH+]c(NCc1ccccc1Br)n2CC1CCCCC1 ZINC000049021264 563135667 /nfs/dbraw/zinc/13/56/67/563135667.db2.gz UBIQOOYKDVAQFG-UHFFFAOYSA-N 1 2 441.373 5.090 1 0 IKAFLO Cc1cc(C)c(-n2c(Cl)cn3c(C[NH+]4CCC(C)CC4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049035795 563136359 /nfs/dbraw/zinc/13/63/59/563136359.db2.gz UKYBIZRBNHPETF-UHFFFAOYSA-N 1 2 438.925 5.954 1 0 IKAFLO CCCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)[nH+]2)cc1 ZINC000049113667 563138604 /nfs/dbraw/zinc/13/86/04/563138604.db2.gz MFVREGCSTSILCV-UHFFFAOYSA-N 1 2 445.994 7.070 1 0 IKAFLO FC(F)(F)c1ccc(Nc2cc[nH+]c3cc(-c4ncccc4C(F)(F)F)ccc23)nc1 ZINC000049113978 563138620 /nfs/dbraw/zinc/13/86/20/563138620.db2.gz ZZFNGMUTCXRSSB-UHFFFAOYSA-N 1 2 434.343 6.473 1 0 IKAFLO Cc1[nH+]c2c(OCc3ccc(Cl)cc3Cl)cccn2c1N(C)Cc1cccs1 ZINC000061905547 563148398 /nfs/dbraw/zinc/14/83/98/563148398.db2.gz HRASQPWXNQDYNI-UHFFFAOYSA-N 1 2 432.376 6.226 3 0 IKAFLO COc1cccc(C[N@@H+]2CC[C@@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)c1OC ZINC000061906664 563148651 /nfs/dbraw/zinc/14/86/51/563148651.db2.gz PJYDZLVKEUNOOV-SANMLTNESA-N 1 2 432.520 5.099 3 0 IKAFLO COc1cccc(C[N@H+]2CC[C@@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)c1OC ZINC000061906664 563148652 /nfs/dbraw/zinc/14/86/52/563148652.db2.gz PJYDZLVKEUNOOV-SANMLTNESA-N 1 2 432.520 5.099 3 0 IKAFLO CC1=C(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](c2ccco2)n2c([nH+]c3ccccc32)N1 ZINC000064448312 563153406 /nfs/dbraw/zinc/15/34/06/563153406.db2.gz DYZDFOVDEVYGGO-FQEVSTJZSA-N 1 2 438.409 5.576 1 0 IKAFLO Cc1ccc2c(NC[C@](O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2[nH+]1 ZINC000064527223 563154476 /nfs/dbraw/zinc/15/44/76/563154476.db2.gz REEPFLFXEYDSCM-JOCHJYFZSA-N 1 2 436.449 5.461 1 0 IKAFLO O=c1cc([C@@H](c2ccc(Cl)cc2)n2cc[nH+]c2)c2ccc(Oc3ccccc3)cc2o1 ZINC000066111895 563158907 /nfs/dbraw/zinc/15/89/07/563158907.db2.gz OUIPCNQCTPOAKI-RUZDIDTESA-N 1 2 428.875 6.073 1 0 IKAFLO O=c1cc([C@@H](c2ccccc2)n2cc[nH+]c2)c2ccc(Oc3ccc(F)c(F)c3)cc2o1 ZINC000066111894 563158913 /nfs/dbraw/zinc/15/89/13/563158913.db2.gz SBRYQYVWUVLSED-RUZDIDTESA-N 1 2 430.410 5.698 1 0 IKAFLO O=c1cc([C@H](c2ccccc2)n2cc[nH+]c2)c2ccc(Oc3ccc(F)c(F)c3)cc2o1 ZINC000066111893 563158933 /nfs/dbraw/zinc/15/89/33/563158933.db2.gz SBRYQYVWUVLSED-VWLOTQADSA-N 1 2 430.410 5.698 1 0 IKAFLO COc1cc(/C=C2\CCCN3CC[C@@H](c4ccc(F)cc4)ON=C23)ccc1-n1c[nH+]c(C)c1 ZINC000068205881 563161232 /nfs/dbraw/zinc/16/12/32/563161232.db2.gz RCGSXNNEINRPEU-ZBXXMNEPSA-N 1 2 446.526 5.283 1 0 IKAFLO O=C(Nc1nocc1Cl)N1CC[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000068209119 563161294 /nfs/dbraw/zinc/16/12/94/563161294.db2.gz SLWUKAWTWWPUQI-UHFFFAOYSA-N 1 2 447.322 5.123 1 0 IKAFLO Cc1ccc2[nH+]c(-c3cccc(Br)c3)c(Cc3ccccc3C(F)(F)F)n2c1 ZINC000072104230 563162930 /nfs/dbraw/zinc/16/29/30/563162930.db2.gz BQPMHXRSZDGRMF-UHFFFAOYSA-N 1 2 445.282 6.682 3 0 IKAFLO Cc1cc2[nH+]c(-c3cccc(Cl)c3)c(Cc3ccccc3)n2c(C)c1Br ZINC000072136583 563164159 /nfs/dbraw/zinc/16/41/59/563164159.db2.gz QBMAHUNVTNMLNK-UHFFFAOYSA-N 1 2 425.757 6.625 3 0 IKAFLO COc1ccc(-c2[nH+]c3c(C)cc(Br)cn3c2CC2CCCCC2)cc1OC ZINC000072138526 563164389 /nfs/dbraw/zinc/16/43/89/563164389.db2.gz DCRJTZNGAUBQJM-UHFFFAOYSA-N 1 2 443.385 6.212 3 0 IKAFLO CCC[C@@H](Cc1cc2cc(-c3ccccc3C)ccc2[nH+]c1N)C(=O)NCC1CCCCC1 ZINC000072177972 563166092 /nfs/dbraw/zinc/16/60/92/563166092.db2.gz KSRGIPYZQZCBMH-QHCPKHFHSA-N 1 2 443.635 6.448 1 0 IKAFLO CC(=O)c1ccccc1-c1ccc2[nH+]c(N)c(C[C@@H](C)C(=O)NCCC(C)(C)C)cc2c1 ZINC000072179803 563166650 /nfs/dbraw/zinc/16/66/50/563166650.db2.gz SZARSNWHVAWQRF-QGZVFWFLSA-N 1 2 431.580 5.418 1 0 IKAFLO CC[C@@H](C)[C@@H]([NH2+]Cc1ccccc1OC)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072181457 563167247 /nfs/dbraw/zinc/16/72/47/563167247.db2.gz QUYHWFCDBBRAOW-QFQXNSOFSA-N 1 2 447.623 6.141 1 0 IKAFLO COc1cc(-c2nc(C[NH2+]C(c3ccccc3)c3ccccc3)co2)cc(OC)c1OC ZINC000072182264 563167411 /nfs/dbraw/zinc/16/74/11/563167411.db2.gz ZHRIBCIBEZNOPM-UHFFFAOYSA-N 1 2 430.504 5.247 1 0 IKAFLO Clc1cccc(N2CC[NH+](Cc3coc(-c4ccc(Br)cc4)n3)CC2)c1 ZINC000072183738 563167673 /nfs/dbraw/zinc/16/76/73/563167673.db2.gz RFAARAMYFNXWPT-UHFFFAOYSA-N 1 2 432.749 5.080 1 0 IKAFLO Nc1scc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000073222412 563170679 /nfs/dbraw/zinc/17/06/79/563170679.db2.gz ZGNUUPGCNLNRGC-UHFFFAOYSA-N 1 2 446.403 5.190 1 0 IKAFLO Fc1ccc(NCc2c[nH+]cn2Cc2ccc(-c3ccccc3)cc2Cl)cc1Cl ZINC000085679244 563179994 /nfs/dbraw/zinc/17/99/94/563179994.db2.gz MRNOGUDBSGVPPX-UHFFFAOYSA-N 1 2 426.322 6.656 1 0 IKAFLO CCCOc1nc2ccccc2cc1-c1cc2[nH+]c(N3CCOCC3)ccc2c(C(C)C)c1 ZINC000095553787 563181125 /nfs/dbraw/zinc/18/11/25/563181125.db2.gz NNSULNYBTSFDTD-UHFFFAOYSA-N 1 2 441.575 6.199 1 0 IKAFLO O=c1c(-c2ccccc2)nc2ccccc2n1[C@H](c1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000095566545 563183567 /nfs/dbraw/zinc/18/35/67/563183567.db2.gz OPWLCLDGWAGEMT-SANMLTNESA-N 1 2 428.495 5.578 3 0 IKAFLO Cc1ccc2c([nH+]1)Nc1ccc(C)c(C)c1N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000095572099 563184637 /nfs/dbraw/zinc/18/46/37/563184637.db2.gz VZELSPNRKZDDGT-UHFFFAOYSA-N 1 2 435.593 5.757 1 0 IKAFLO COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2F)n3C)ccc1-n1c[nH+]c(C)c1 ZINC000095573945 563185249 /nfs/dbraw/zinc/18/52/49/563185249.db2.gz OABVPHMXGVFMQT-UHFFFAOYSA-N 1 2 445.473 5.765 1 0 IKAFLO COc1cc(Nc2cccc3oc(Cc4ccc(F)cc4)nc32)ccc1-n1c[nH+]c(C)c1 ZINC000095575706 563185852 /nfs/dbraw/zinc/18/58/52/563185852.db2.gz NPYAHWBZOQFCKU-UHFFFAOYSA-N 1 2 428.467 5.804 1 0 IKAFLO COc1cc([C@@H]2C[C@@]23CCCN([C@@H](C)c2ccc(F)cc2)C3=O)ccc1-n1c[nH+]c(C)c1 ZINC000095578919 563186854 /nfs/dbraw/zinc/18/68/54/563186854.db2.gz CINAODWEFYFMCD-DOPYIHRPSA-N 1 2 433.527 5.186 1 0 IKAFLO COc1cc(/C=C2\CCCCN3C2=NOC[C@@H]3c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000095594133 563190947 /nfs/dbraw/zinc/19/09/47/563190947.db2.gz YRGMMCOPNXRHSC-QYAMMSNYSA-N 1 2 446.526 5.283 1 0 IKAFLO COc1cc(/C=C2\CCCN3CC[C@H](c4ccc(F)cc4)ON=C23)ccc1-n1c[nH+]c(C)c1 ZINC000095594549 563191104 /nfs/dbraw/zinc/19/11/04/563191104.db2.gz RCGSXNNEINRPEU-JRXNCPAPSA-N 1 2 446.526 5.283 1 0 IKAFLO Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3ccccc3)[nH+]c12 ZINC000095598911 563192223 /nfs/dbraw/zinc/19/22/23/563192223.db2.gz ZUPKEWXWVIVAHR-UHFFFAOYSA-N 1 2 445.282 6.682 3 0 IKAFLO COc1ccc([C@H](C(=O)Nc2c(C)cccc2C)[NH+]2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000095598988 563192357 /nfs/dbraw/zinc/19/23/57/563192357.db2.gz ZZIVHQFJOFEFFT-HHHXNRCGSA-N 1 2 443.591 5.122 3 0 IKAFLO COc1ccccc1Cc1c(-c2cccc(Cl)c2)[nH+]c2c(C)cc(Br)cn12 ZINC000095605418 563193960 /nfs/dbraw/zinc/19/39/60/563193960.db2.gz FDZRXKAESUCEMV-UHFFFAOYSA-N 1 2 441.756 6.325 3 0 IKAFLO Fc1ccc(-c2[nH+]c3ccc(N4CCOCC4)cn3c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000096927589 563198184 /nfs/dbraw/zinc/19/81/84/563198184.db2.gz JGVRXBMLQAVQAU-UHFFFAOYSA-N 1 2 449.529 6.311 1 0 IKAFLO CSc1nc(Nc2ccc3[nH]c[nH+]c3c2)nc(Nc2ccc3nc(C)cc(C)c3c2)n1 ZINC000098081942 563200481 /nfs/dbraw/zinc/20/04/81/563200481.db2.gz WMYUATNLWHZESU-UHFFFAOYSA-N 1 2 428.525 5.122 1 0 IKAFLO O=S(=O)(c1ccccc1)N1CCC2(CCC[N@@H+](c3cccc(-c4ccccc4)c3)C2)CC1 ZINC000003956412 132268382 /nfs/dbraw/zinc/26/83/82/132268382.db2.gz JFSHXRHECVUSPN-UHFFFAOYSA-N 1 2 446.616 5.425 1 0 aggregator IKAFLO O=S(=O)(c1ccccc1)N1CCC2(CCC[N@H+](c3cccc(-c4ccccc4)c3)C2)CC1 ZINC000003956412 132268385 /nfs/dbraw/zinc/26/83/85/132268385.db2.gz JFSHXRHECVUSPN-UHFFFAOYSA-N 1 2 446.616 5.425 1 0 aggregator IKAFLO O=C(c1cccc(F)c1)N1CCC2(CCC[N@@H+](c3cccc(-c4ccccc4)c3)C2)CC1 ZINC000003956267 132268418 /nfs/dbraw/zinc/26/84/18/132268418.db2.gz HMVGXCSUOLALOA-UHFFFAOYSA-N 1 2 428.551 6.016 1 0 aggregator IKAFLO O=C(c1cccc(F)c1)N1CCC2(CCC[N@H+](c3cccc(-c4ccccc4)c3)C2)CC1 ZINC000003956267 132268419 /nfs/dbraw/zinc/26/84/19/132268419.db2.gz HMVGXCSUOLALOA-UHFFFAOYSA-N 1 2 428.551 6.016 1 0 aggregator IKAFLO COc1cccc(NC(=O)Nc2ccc(Oc3cc[nH+]c4cc(OC)c(OC)cc43)cc2)c1 ZINC000001486731 562922222 /nfs/dbraw/zinc/92/22/22/562922222.db2.gz QNGPPKUKJPRKAA-UHFFFAOYSA-N 1 2 445.475 5.697 1 0 IKAFLO O=C(c1ccco1)N1CCC2(C[NH+](Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000003956065 562939942 /nfs/dbraw/zinc/93/99/42/562939942.db2.gz RCYMODPJBKJBRM-UHFFFAOYSA-N 1 2 446.391 5.055 1 0 IKAFLO CCCCCc1cc(OCC[NH+]2CCOCC2)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000013446968 562987053 /nfs/dbraw/zinc/98/70/53/562987053.db2.gz CSZHPJDQORYZKU-DHIUTWEWSA-N 1 2 427.629 5.741 1 0 IKAFLO CC(=O)n1c2ccccc2c2c1C[N@@H+](CCCC[C@]13CCCc4cccc(c41)NC3=O)CC2 ZINC000013473730 562988405 /nfs/dbraw/zinc/98/84/05/562988405.db2.gz FNLVSYVCTGWSJL-NDEPHWFRSA-N 1 2 441.575 5.056 1 0 IKAFLO CC(=O)n1c2ccccc2c2c1C[N@H+](CCCC[C@]13CCCc4cccc(c41)NC3=O)CC2 ZINC000013473730 562988406 /nfs/dbraw/zinc/98/84/06/562988406.db2.gz FNLVSYVCTGWSJL-NDEPHWFRSA-N 1 2 441.575 5.056 1 0 IKAFLO Nc1ccn2c(nc(-c3ccccc3)c2-c2cc[nH+]c(N[C@H]3CCCc4ccccc43)c2)n1 ZINC000013487229 562989366 /nfs/dbraw/zinc/98/93/66/562989366.db2.gz WQKREPZMMAPYRS-QFIPXVFZSA-N 1 2 432.531 5.530 1 0 IKAFLO CCN(Cc1ccc(Cl)cc1)c1cc(C)nc2c(-c3c[nH+]c(N(C)C)cc3C)c(C)nn21 ZINC000013583171 562994861 /nfs/dbraw/zinc/99/48/61/562994861.db2.gz WCDPCWZRDBSBJA-UHFFFAOYSA-N 1 2 449.002 5.462 1 0 IKAFLO CCN(Cc1cccc(C)c1)c1cc(C)nc2c(-c3c[nH+]c(N(C)C)cc3C)c(C)nn21 ZINC000013583163 562994872 /nfs/dbraw/zinc/99/48/72/562994872.db2.gz CSVCVLIQSGLCHX-UHFFFAOYSA-N 1 2 428.584 5.117 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)Nc4ccccc4C)cc3)c2cc1OC ZINC000013610086 562997717 /nfs/dbraw/zinc/99/77/17/562997717.db2.gz OMPVQOOIKZDYGO-UHFFFAOYSA-N 1 2 429.476 5.997 1 0 IKAFLO CCCC(=O)c1cnc2c(OCCCc3c[nH]c[nH+]3)cccc2c1Nc1c(C)cccc1C ZINC000013742250 563003399 /nfs/dbraw/zinc/00/33/99/563003399.db2.gz OIUDSIHLHKLLBT-UHFFFAOYSA-N 1 2 442.563 6.313 1 0 IKAFLO CCCC(=O)c1cnc2c(OCCCc3c[nH+]c[nH]3)cccc2c1Nc1c(C)cccc1C ZINC000013742250 563003400 /nfs/dbraw/zinc/00/34/00/563003400.db2.gz OIUDSIHLHKLLBT-UHFFFAOYSA-N 1 2 442.563 6.313 1 0 IKAFLO Clc1sccc1CO[C@@H]1c2cc(Cl)c(Cl)cc2S[C@H]1Cn1cc[nH+]c1 ZINC000013775768 563005670 /nfs/dbraw/zinc/00/56/70/563005670.db2.gz YEHKRXJFFRNTNF-JKSUJKDBSA-N 1 2 431.797 6.337 1 0 IKAFLO C[NH+](C)Cc1sccc1Oc1cccc(-c2c(=O)[nH]c3cc(Cl)ccc3c2O)c1 ZINC000013775726 563005706 /nfs/dbraw/zinc/00/57/06/563005706.db2.gz DJYSLBHGRAHXLV-UHFFFAOYSA-N 1 2 426.925 5.470 1 0 IKAFLO Clc1ccc(CO[C@@H]2c3c(cc(Cl)cc3Cl)S[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000013775797 563005756 /nfs/dbraw/zinc/00/57/56/563005756.db2.gz HLISQAYPWNMIHC-MJGOQNOKSA-N 1 2 425.768 6.276 1 0 IKAFLO Clc1ccc2c(c1)S[C@H](Cn1cc[nH+]c1)[C@@H]2OCc1ccc(Cl)cc1Cl ZINC000013775790 563005815 /nfs/dbraw/zinc/00/58/15/563005815.db2.gz GDQODJLFRNJZPE-RTBURBONSA-N 1 2 425.768 6.276 1 0 IKAFLO C[N@@H+]1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@@H](C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000013804568 563008316 /nfs/dbraw/zinc/00/83/16/563008316.db2.gz FEIRROBBFMUCJM-BEFAXECRSA-N 1 2 433.162 5.322 1 0 IKAFLO C[N@H+]1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@@H](C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000013804568 563008317 /nfs/dbraw/zinc/00/83/17/563008317.db2.gz FEIRROBBFMUCJM-BEFAXECRSA-N 1 2 433.162 5.322 1 0 IKAFLO COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3c(C)cc[nH+]c3C)c1)CC2 ZINC000013806138 563008407 /nfs/dbraw/zinc/00/84/07/563008407.db2.gz BWXWMZPAKOINJY-UHFFFAOYSA-N 1 2 441.453 5.987 1 0 IKAFLO CCCCc1[nH+]c2ccc(OC)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828029 563010836 /nfs/dbraw/zinc/01/08/36/563010836.db2.gz RNFPQAYHCNOZCL-UHFFFAOYSA-N 1 2 438.535 5.283 1 0 IKAFLO Cc1nn(C)c(C)c1C[N@H+](Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C)C1CC1 ZINC000015064298 563017412 /nfs/dbraw/zinc/01/74/12/563017412.db2.gz BDTJEDNBOZBGET-UHFFFAOYSA-N 1 2 442.563 5.957 1 0 IKAFLO Cc1nn(C)c(C)c1C[N@@H+](Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C)C1CC1 ZINC000015064298 563017414 /nfs/dbraw/zinc/01/74/14/563017414.db2.gz BDTJEDNBOZBGET-UHFFFAOYSA-N 1 2 442.563 5.957 1 0 IKAFLO Cc1ccc([C@H](OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925531 563025844 /nfs/dbraw/zinc/02/58/44/563025844.db2.gz YXBBKRPEQRPZSX-RZFDLJBBSA-N 1 2 426.604 5.432 1 0 IKAFLO Fc1ccc(/C=C/C[NH+]2CCN(CCO[C@@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925628 563025905 /nfs/dbraw/zinc/02/59/05/563025905.db2.gz WFJRJRXEODOZJG-WHIPERCESA-N 1 2 448.557 5.402 1 0 IKAFLO COc1cccc(/C=C/C[NH+]2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022939435 563026712 /nfs/dbraw/zinc/02/67/12/563026712.db2.gz ILQSYUPQZVZUKN-PKNBQFBNSA-N 1 2 442.603 5.132 1 0 IKAFLO C[NH+]1CCN(CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c(Cl)c2)CC1 ZINC000023361011 563027087 /nfs/dbraw/zinc/02/70/87/563027087.db2.gz ZPKHJXYJHFUOGM-UHFFFAOYSA-N 1 2 441.019 5.197 1 0 IKAFLO CN1CC[NH+](CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)c(Cl)c2)CC1 ZINC000023361011 563027088 /nfs/dbraw/zinc/02/70/88/563027088.db2.gz ZPKHJXYJHFUOGM-UHFFFAOYSA-N 1 2 441.019 5.197 1 0 IKAFLO CN1CC[NH+](CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c(Cl)c2)CC1 ZINC000023361011 563027090 /nfs/dbraw/zinc/02/70/90/563027090.db2.gz ZPKHJXYJHFUOGM-UHFFFAOYSA-N 1 2 441.019 5.197 1 0 IKAFLO Cc1cc(OCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026471839 563032136 /nfs/dbraw/zinc/03/21/36/563032136.db2.gz YZGWPRVNSBJADE-UHFFFAOYSA-N 1 2 430.592 5.103 1 0 IKAFLO O=C(c1cc2c(cn1)sc1ccccc12)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000026834461 563037278 /nfs/dbraw/zinc/03/72/78/563037278.db2.gz RCJPCNJEVWXXPI-UHFFFAOYSA-N 1 2 435.980 5.451 1 0 IKAFLO O=C(c1cc2c(cn1)sc1ccccc12)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000026834461 563037280 /nfs/dbraw/zinc/03/72/80/563037280.db2.gz RCJPCNJEVWXXPI-UHFFFAOYSA-N 1 2 435.980 5.451 1 0 IKAFLO COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1[nH+]ccn1C(C)C ZINC000027201463 563040648 /nfs/dbraw/zinc/04/06/48/563040648.db2.gz GIFLEBHAGNNGFV-UHFFFAOYSA-N 1 2 433.777 6.341 1 0 IKAFLO Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)c(Cl)c1 ZINC000027423799 563042137 /nfs/dbraw/zinc/04/21/37/563042137.db2.gz BHLRUOGOYQUJHE-FQEVSTJZSA-N 1 2 437.157 7.130 1 0 IKAFLO O=C(CC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027725968 563046023 /nfs/dbraw/zinc/04/60/23/563046023.db2.gz HNXGJBYRNOHGNV-UHFFFAOYSA-N 1 2 434.461 5.679 1 0 IKAFLO O=C(CC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027725968 563046025 /nfs/dbraw/zinc/04/60/25/563046025.db2.gz HNXGJBYRNOHGNV-UHFFFAOYSA-N 1 2 434.461 5.679 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3F)c2cc1OC ZINC000027985937 563048744 /nfs/dbraw/zinc/04/87/44/563048744.db2.gz DRSXYMINBGBLTF-UHFFFAOYSA-N 1 2 446.522 7.225 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC4CCC(C(C)(C)C)CC4)cc3)c2cc1OC ZINC000027989907 563048988 /nfs/dbraw/zinc/04/89/88/563048988.db2.gz MGGAROKMOBSMTE-UHFFFAOYSA-N 1 2 434.580 7.061 1 0 IKAFLO Fc1ccc([C@@H]2C[C@@H](N3CC[NH+](C/C=C/c4ccccc4)CC3)c3cc(F)ccc32)cc1 ZINC000028009390 563049609 /nfs/dbraw/zinc/04/96/09/563049609.db2.gz WFWXLDOWSRFXSJ-FZOVNGNZSA-N 1 2 430.542 5.873 1 0 IKAFLO CC(C)c1ccccc1Sc1ccc(-c2cc[nH+]c(N3CCCC3)c2)cc1C(F)(F)F ZINC000028133307 563051465 /nfs/dbraw/zinc/05/14/65/563051465.db2.gz ROTGVBIACJDGCI-UHFFFAOYSA-N 1 2 442.550 7.642 1 0 IKAFLO FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1C[NH+]1CC=CC1 ZINC000028138119 563051649 /nfs/dbraw/zinc/05/16/49/563051649.db2.gz JZADKYGFGFSVPV-UHFFFAOYSA-N 1 2 428.694 6.238 1 0 IKAFLO Cc1ccc([C@@H](c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)n2cc[nH+]c2)cc1 ZINC000028234959 563052023 /nfs/dbraw/zinc/05/20/23/563052023.db2.gz ZIQMGLHLIIJUHD-QHCPKHFHSA-N 1 2 436.342 6.388 1 0 IKAFLO COc1ccc2c(c1OC)[C@H](Cc1ccccc1)[N@H+]1CCc3cc(OC)c(OC)cc3[C@H]1C2 ZINC000028391648 563054485 /nfs/dbraw/zinc/05/44/85/563054485.db2.gz SXTAUSJLLADWLQ-PKTZIBPZSA-N 1 2 445.559 5.160 1 0 IKAFLO COc1ccc2c(c1OC)[C@H](Cc1ccccc1)[N@@H+]1CCc3cc(OC)c(OC)cc3[C@H]1C2 ZINC000028391648 563054487 /nfs/dbraw/zinc/05/44/87/563054487.db2.gz SXTAUSJLLADWLQ-PKTZIBPZSA-N 1 2 445.559 5.160 1 0 IKAFLO Cn1cc(-c2ccc(-n3cccc3)cc2)c([C@@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)c1 ZINC000028467789 563055334 /nfs/dbraw/zinc/05/53/34/563055334.db2.gz DEKRDBRWCDKYAG-RUZDIDTESA-N 1 2 447.369 6.624 1 0 IKAFLO Cn1cc(-c2cccc3ccccc32)c([C@@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)c1 ZINC000028466912 563055396 /nfs/dbraw/zinc/05/53/96/563055396.db2.gz CHNKNGSGNRZHCK-RUZDIDTESA-N 1 2 432.354 6.986 1 0 IKAFLO Clc1ccc2c(c1)nccc2Nc1cccc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000028470572 563055477 /nfs/dbraw/zinc/05/54/77/563055477.db2.gz YIOPLEOETVRVPP-UHFFFAOYSA-N 1 2 431.326 7.577 1 0 IKAFLO Brc1cnc(Nc2ccc3[nH]c[nH+]c3c2)nc1N[C@H]1CCCc2ccccc21 ZINC000028522945 563056186 /nfs/dbraw/zinc/05/61/86/563056186.db2.gz JONSRNZJYAZYTE-KRWDZBQOSA-N 1 2 435.329 5.349 1 0 IKAFLO CCC[C@@H](O)c1c[nH+]c([C@@H](C)CC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569220 563058729 /nfs/dbraw/zinc/05/87/29/563058729.db2.gz YPDHBJDSZAAURZ-BLLLJJGKSA-N 1 2 438.412 5.532 1 0 IKAFLO Clc1ccc(CC[C@H]2CO[C@@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028766959 563064248 /nfs/dbraw/zinc/06/42/48/563064248.db2.gz YUANOLWCHMZDBJ-GHTZIAJQSA-N 1 2 437.754 5.745 1 0 IKAFLO COc1ccc(CC[C@H]2CO[C@@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028768633 563064254 /nfs/dbraw/zinc/06/42/54/563064254.db2.gz FKNBVWMLDHPIHH-SIKLNZKXSA-N 1 2 433.335 5.100 1 0 IKAFLO Clc1ccc([C@@H]2CO[C@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)c(Cl)c1 ZINC000028769174 563064350 /nfs/dbraw/zinc/06/43/50/563064350.db2.gz NAEGNFMRFQAVML-OALUTQOASA-N 1 2 444.145 6.138 1 0 IKAFLO C/[NH+]=c1\ncn(C)c2ncn(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c21 ZINC000028816846 563064584 /nfs/dbraw/zinc/06/45/84/563064584.db2.gz DZHDJSQPKIPBNM-LFKRSNFGSA-N 1 2 435.660 6.446 1 0 IKAFLO CCOC(=O)C[C@H](CCCCCn1c(C)[nH+]c(-c2ccccc2)c1-c1ccccc1)C(C)C ZINC000028821678 563065456 /nfs/dbraw/zinc/06/54/56/563065456.db2.gz RZJZSMOCWTXXTM-SANMLTNESA-N 1 2 446.635 7.311 1 0 IKAFLO C[C@@H](c1ccccc1)n1cc[nH+]c1C1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000028822944 563065854 /nfs/dbraw/zinc/06/58/54/563065854.db2.gz JXUWRZZEVUREMV-QHCPKHFHSA-N 1 2 435.571 5.715 1 0 IKAFLO CC[C@]1(C[C@](O)(CNc2cccc3[nH+]c(C)ccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826214 563066489 /nfs/dbraw/zinc/06/64/89/563066489.db2.gz XJFFZMILSHZEQK-RPBOFIJWSA-N 1 2 442.525 6.323 1 0 IKAFLO CCCN(CCn1cc[nH+]c1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc21 ZINC000029037826 563071675 /nfs/dbraw/zinc/07/16/75/563071675.db2.gz YMYNXVXNDOYIHZ-UHFFFAOYSA-N 1 2 428.580 5.949 1 0 IKAFLO CCc1ccccc1-c1cc(OC)c2c([nH+]1)CCC[C@H]2N(CC)c1cccc2ccccc21 ZINC000029053807 563073293 /nfs/dbraw/zinc/07/32/93/563073293.db2.gz MMXMFMPXNVWWPU-MUUNZHRXSA-N 1 2 436.599 7.377 1 0 IKAFLO Cc1[nH+]c2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc2n1CC(C)C ZINC000029130883 563075614 /nfs/dbraw/zinc/07/56/14/563075614.db2.gz YUKWWDANXQPDGD-UHFFFAOYSA-N 1 2 442.513 7.003 1 0 IKAFLO CCCCNc1[nH+]c2ccc(CNc3cc(C)cc(C)c3)cc2n1Cc1nc(C)ccc1O ZINC000029134212 563076047 /nfs/dbraw/zinc/07/60/47/563076047.db2.gz BCWQSHDDNDBQOS-UHFFFAOYSA-N 1 2 443.595 5.935 1 0 IKAFLO Clc1ccc([C@@H](COc2ccc(Br)cc2)Cn2cc[nH+]c2)c(Cl)c1 ZINC000033493820 563084496 /nfs/dbraw/zinc/08/44/96/563084496.db2.gz HUFOMRFPRSVNOQ-CYBMUJFWSA-N 1 2 426.141 5.815 1 0 IKAFLO [NH2+]=C(Nc1ccc2[nH]cc(C3CCN(C(=O)c4ccccc4)CC3)c2c1)c1cccs1 ZINC000034805988 563087893 /nfs/dbraw/zinc/08/78/93/563087893.db2.gz LNWYIZBTQOVQNS-UHFFFAOYSA-N 1 2 428.561 5.687 1 0 IKAFLO C[N@@H+]1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@H](C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000036177294 563091587 /nfs/dbraw/zinc/09/15/87/563091587.db2.gz FEIRROBBFMUCJM-KXBFYZLASA-N 1 2 433.162 5.322 1 0 IKAFLO C[N@H+]1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@H](C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000036177294 563091589 /nfs/dbraw/zinc/09/15/89/563091589.db2.gz FEIRROBBFMUCJM-KXBFYZLASA-N 1 2 433.162 5.322 1 0 IKAFLO CCCCCOc1ccc(Nc2cc(C)[nH+]c3ccc4[nH]cnc4c23)cc1OCCCCC ZINC000039214860 563098894 /nfs/dbraw/zinc/09/88/94/563098894.db2.gz FBSXFIZYPUBICY-UHFFFAOYSA-N 1 2 446.595 7.301 1 0 IKAFLO COc1cccc(-c2[nH+]cc(Cc3ccc(Cl)cc3)n2C2CCC3(CC2)OCCO3)c1 ZINC000040391186 563099745 /nfs/dbraw/zinc/09/97/45/563099745.db2.gz LRIIIXSAXXTARY-UHFFFAOYSA-N 1 2 438.955 5.661 1 0 IKAFLO COc1ccc(NCc2c[nH+]cn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000040430505 563103493 /nfs/dbraw/zinc/10/34/93/563103493.db2.gz VELTVDXFURCRHW-UHFFFAOYSA-N 1 2 445.566 6.886 1 0 IKAFLO COc1cc(OCc2ccncc2)c(C(=[NH2+])Nc2ccccc2C(F)(F)F)cc1OC ZINC000040818414 563106981 /nfs/dbraw/zinc/10/69/81/563106981.db2.gz WYWKRQADXFWKBK-UHFFFAOYSA-N 1 2 431.414 5.134 1 0 IKAFLO O=C1/C(=C2/CCC[N@H+]2Cc2ccc(Cl)cc2)c2ccccc2N1c1cccc(Cl)c1 ZINC000040822253 563106988 /nfs/dbraw/zinc/10/69/88/563106988.db2.gz LMHPBQBOJQNHNQ-VHXPQNKSSA-N 1 2 435.354 6.679 1 0 IKAFLO O=C1/C(=C2/CCC[N@@H+]2Cc2ccc(Cl)cc2)c2ccccc2N1c1cccc(Cl)c1 ZINC000040822253 563106989 /nfs/dbraw/zinc/10/69/89/563106989.db2.gz LMHPBQBOJQNHNQ-VHXPQNKSSA-N 1 2 435.354 6.679 1 0 IKAFLO Cc1cc(Sc2ccc(Cl)cc2)cn2c(CSCCc3ccccc3)c[nH+]c12 ZINC000040865561 563108722 /nfs/dbraw/zinc/10/87/22/563108722.db2.gz OXQVCINHNHFCKY-UHFFFAOYSA-N 1 2 425.022 6.923 1 0 IKAFLO CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH+]c(NCc3cccc4ccccc43)c2)[nH]1 ZINC000040935941 563112742 /nfs/dbraw/zinc/11/27/42/563112742.db2.gz AHRXEPUOUQLFCZ-UHFFFAOYSA-N 1 2 440.547 6.765 1 0 IKAFLO COc1cc(/C=C/c2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000043171175 563119157 /nfs/dbraw/zinc/11/91/57/563119157.db2.gz DTUBMQQXYZEXQC-YICVCXCLSA-N 1 2 429.499 5.016 1 0 IKAFLO O=c1cc(NCC[C@H]2CC=CC[N@H+]2Cc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 ZINC000045167491 563122355 /nfs/dbraw/zinc/12/23/55/563122355.db2.gz FUXMCEXQNHCLQI-QGZVFWFLSA-N 1 2 428.363 5.468 1 0 IKAFLO O=c1cc(NCC[C@H]2CC=CC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 ZINC000045167491 563122356 /nfs/dbraw/zinc/12/23/56/563122356.db2.gz FUXMCEXQNHCLQI-QGZVFWFLSA-N 1 2 428.363 5.468 1 0 IKAFLO Cc1cc(NCCc2cccc(F)c2)nc(NC(=[NH2+])Nc2cccc(C(F)(F)F)c2)n1 ZINC000045201798 563124841 /nfs/dbraw/zinc/12/48/41/563124841.db2.gz BMRFPRVTLYVWJL-UHFFFAOYSA-N 1 2 432.425 5.056 1 0 IKAFLO CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)oc(=O)c1c2CC[N@H+](Cc2ccccc2)C1 ZINC000045202576 563125020 /nfs/dbraw/zinc/12/50/20/563125020.db2.gz UOFOOSVHSIWUSB-UXHICEINSA-N 1 2 433.592 6.377 1 0 IKAFLO CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)oc(=O)c1c2CC[N@@H+](Cc2ccccc2)C1 ZINC000045202576 563125021 /nfs/dbraw/zinc/12/50/21/563125021.db2.gz UOFOOSVHSIWUSB-UXHICEINSA-N 1 2 433.592 6.377 1 0 IKAFLO CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)oc(=O)c1c2CC[N@H+](Cc2ccccc2)C1 ZINC000045202572 563125063 /nfs/dbraw/zinc/12/50/63/563125063.db2.gz UOFOOSVHSIWUSB-WOJBJXKFSA-N 1 2 433.592 6.377 1 0 IKAFLO CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)oc(=O)c1c2CC[N@@H+](Cc2ccccc2)C1 ZINC000045202572 563125064 /nfs/dbraw/zinc/12/50/64/563125064.db2.gz UOFOOSVHSIWUSB-WOJBJXKFSA-N 1 2 433.592 6.377 1 0 IKAFLO Cn1c[nH+]cc1-c1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1 ZINC000045227093 563125431 /nfs/dbraw/zinc/12/54/31/563125431.db2.gz WEVYGRGHPNEVKY-UHFFFAOYSA-N 1 2 431.503 5.172 1 0 IKAFLO CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1[nH+]ccn1Cc1ccccc1 ZINC000045289360 563128611 /nfs/dbraw/zinc/12/86/11/563128611.db2.gz MZXOJLUENNUYRY-IBGZPJMESA-N 1 2 438.018 5.102 1 0 IKAFLO CCOc1cc(C(=O)Nc2ccc(Cl)c(-c3[nH]cc[nH+]3)c2)cc(OCC)c1OCC ZINC000045316658 563129897 /nfs/dbraw/zinc/12/98/97/563129897.db2.gz GWBYZXAIPHACIL-UHFFFAOYSA-N 1 2 429.904 5.179 1 0 IKAFLO COc1cc(Nc2cc(Oc3ccc(C)nc3-c3ccccn3)cc[nH+]2)cc(OC)c1OC ZINC000045317558 563129942 /nfs/dbraw/zinc/12/99/42/563129942.db2.gz JUQWKHUSDMGHQR-UHFFFAOYSA-N 1 2 444.491 5.409 1 0 IKAFLO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1[nH+]ccn1Cc1ccc(Cl)cc1 ZINC000058576551 563144937 /nfs/dbraw/zinc/14/49/37/563144937.db2.gz LIYROGPUOXOGKP-IBGZPJMESA-N 1 2 448.876 5.973 1 0 IKAFLO COc1cc(/C=C/c2nc3n(n2)CCC[C@@H]3c2cccc(F)c2)ccc1-n1c[nH+]c(C)c1 ZINC000059099384 563146225 /nfs/dbraw/zinc/14/62/25/563146225.db2.gz CXPRIYPSNJAUJB-FKVRIVCVSA-N 1 2 429.499 5.016 1 0 IKAFLO COc1ccc(-c2sc3ccccc3c2-c2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC000061947939 563151539 /nfs/dbraw/zinc/15/15/39/563151539.db2.gz DEXGYQDWSASSFT-UHFFFAOYSA-N 1 2 445.584 5.955 3 0 IKAFLO COc1cc(/C=C/c2nc3sc4c(c3c(N)n2)CCCCC4)ccc1-n1c[nH+]c(C)c1 ZINC000066263447 563160894 /nfs/dbraw/zinc/16/08/94/563160894.db2.gz FYIAXSYXQPAMIK-PKNBQFBNSA-N 1 2 431.565 5.216 1 0 IKAFLO Oc1cc(-c2cccs2)cc2c1OCC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC000067908250 563161039 /nfs/dbraw/zinc/16/10/39/563161039.db2.gz WZCZPODMPNGPBJ-UHFFFAOYSA-N 1 2 437.952 5.559 1 0 IKAFLO Oc1cc(-c2cccs2)cc2c1OCC[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC000067908250 563161041 /nfs/dbraw/zinc/16/10/41/563161041.db2.gz WZCZPODMPNGPBJ-UHFFFAOYSA-N 1 2 437.952 5.559 1 0 IKAFLO COc1cc(-c2cc(C(C)C)c(N[C@@H](C)c3ccc(F)cc3)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000072173528 563165181 /nfs/dbraw/zinc/16/51/81/563165181.db2.gz QLZIPZSSIJMSKJ-SFHVURJKSA-N 1 2 445.542 6.082 1 0 IKAFLO Cc1ccc(N2CC[NH+](Cc3coc(-c4ccc(OC(F)(F)F)cc4)n3)CC2)c(C)c1 ZINC000072180941 563167036 /nfs/dbraw/zinc/16/70/36/563167036.db2.gz LPWKKFRRLRBAIK-UHFFFAOYSA-N 1 2 431.458 5.179 1 0 IKAFLO CC[C@H](C)[C@@H]([NH2+]Cc1ccccc1OC)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072181458 563167252 /nfs/dbraw/zinc/16/72/52/563167252.db2.gz QUYHWFCDBBRAOW-HFZDXXHNSA-N 1 2 447.623 6.141 1 0 IKAFLO FC(F)(F)c1cccc(N2CC[NH+](Cc3coc(-c4cccc5ccccc54)n3)CC2)c1 ZINC000072186354 563168286 /nfs/dbraw/zinc/16/82/86/563168286.db2.gz ASVONULRKMDGPL-UHFFFAOYSA-N 1 2 437.465 5.836 1 0 IKAFLO COc1ccccc1Cc1c(-c2ccc(F)cc2)[nH+]c2cc(C)c(Br)c(C)n21 ZINC000073417812 563172774 /nfs/dbraw/zinc/17/27/74/563172774.db2.gz LETMCSFLVGJNOO-UHFFFAOYSA-N 1 2 439.328 6.119 3 0 IKAFLO Clc1cc2nc([C@@H]3CCCN3c3cc(NCc4ccccc4)[nH+]cn3)[nH]c2cc1Cl ZINC000082154543 563173444 /nfs/dbraw/zinc/17/34/44/563173444.db2.gz UHQQRAGZDMALFK-IBGZPJMESA-N 1 2 439.350 5.613 1 0 IKAFLO Clc1cc2nc([C@@H]3CCCN3c3cc(NCc4ccccc4)nc[nH+]3)[nH]c2cc1Cl ZINC000082154543 563173446 /nfs/dbraw/zinc/17/34/46/563173446.db2.gz UHQQRAGZDMALFK-IBGZPJMESA-N 1 2 439.350 5.613 1 0 IKAFLO CCN(CC)C(=O)c1ccc(C(c2ccccn2)=C2CC[NH+](Cc3cscn3)CC2)cc1 ZINC000082156862 563173638 /nfs/dbraw/zinc/17/36/38/563173638.db2.gz MLCSQCQQXKVRFQ-UHFFFAOYSA-N 1 2 446.620 5.118 1 0 IKAFLO C1=C/C[N@@H+](Cc2ccccn2)Cc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1 ZINC000082158769 563173997 /nfs/dbraw/zinc/17/39/97/563173997.db2.gz MFQNYMZZSRZQKB-DAFODLJHSA-N 1 2 449.558 5.623 1 0 IKAFLO C1=C/C[N@H+](Cc2ccccn2)Cc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1 ZINC000082158769 563173998 /nfs/dbraw/zinc/17/39/98/563173998.db2.gz MFQNYMZZSRZQKB-DAFODLJHSA-N 1 2 449.558 5.623 1 0 IKAFLO Nc1cc(-c2ccccc2)ccc1Cn1c[nH+]cc1CNc1ccc(F)c(-c2ccccc2)c1 ZINC000085679118 563179967 /nfs/dbraw/zinc/17/99/67/563179967.db2.gz UAVDTYVNLUIZCY-UHFFFAOYSA-N 1 2 448.545 6.599 1 0 IKAFLO O=C(Nc1cc(Cl)cc2c3cc(NCc4ccccc4)[nH+]cc3[nH]c21)c1ccccn1 ZINC000095554582 563181184 /nfs/dbraw/zinc/18/11/84/563181184.db2.gz NZRJQPJRTDPLML-UHFFFAOYSA-N 1 2 427.895 5.629 1 0 IKAFLO CCCCCc1c(-c2ccc(Br)cc2)[nH+]cn1CCc1ccccc1OC ZINC000095565768 563183336 /nfs/dbraw/zinc/18/33/36/563183336.db2.gz SEUXLCPSEDPLFB-UHFFFAOYSA-N 1 2 427.386 6.297 3 0 IKAFLO Cc1cc2[nH+]c(C3CCCCC3)c(Cc3cccc(Cl)c3)n2c(C)c1Br ZINC000095566754 563183580 /nfs/dbraw/zinc/18/35/80/563183580.db2.gz DJQMXNJZZVZSTJ-UHFFFAOYSA-N 1 2 431.805 7.006 3 0 IKAFLO COc1ccc(Cc2c(-c3ccc(C)cc3)[nH+]c3cc(C)c(Br)c(C)n32)c(C)c1 ZINC000095566797 563183673 /nfs/dbraw/zinc/18/36/73/563183673.db2.gz MXFVBIXQKWUXKU-UHFFFAOYSA-N 1 2 449.392 6.597 3 0 IKAFLO O=C(c1ccccc1)N(CCCn1cc[nH+]c1)[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000095570957 563184423 /nfs/dbraw/zinc/18/44/23/563184423.db2.gz XRQPKOPDTHLLNO-VWLOTQADSA-N 1 2 435.531 5.082 3 0 IKAFLO COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)[nH+]cc1-n1cnc(C)c1 ZINC000095572129 563184670 /nfs/dbraw/zinc/18/46/70/563184670.db2.gz HZBCNIXRPWTDIM-UHFFFAOYSA-N 1 2 428.471 5.021 1 0 IKAFLO COc1cc(/C=C2\OC(C)(C)CN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1c[nH+]c(C)c1 ZINC000095578893 563186867 /nfs/dbraw/zinc/18/68/67/563186867.db2.gz CJFOXKHAYNLQIB-DNNAEVNTSA-N 1 2 449.526 5.068 1 0 IKAFLO COc1cc(/C=C2\CCCN3C2=NOC[C@@]3(C)c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000095579872 563187167 /nfs/dbraw/zinc/18/71/67/563187167.db2.gz GKXRXBPNFZXEEM-DKGRHVEHSA-N 1 2 446.526 5.067 1 0 IKAFLO COc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1cc[nH+]c(NC2CCCCC2)n1 ZINC000095586467 563189187 /nfs/dbraw/zinc/18/91/87/563189187.db2.gz BLYQNHCDMISTOE-UHFFFAOYSA-N 1 2 449.558 6.389 1 0 IKAFLO Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000095600923 563192712 /nfs/dbraw/zinc/19/27/12/563192712.db2.gz PESPCUGPWGZMLC-SANMLTNESA-N 1 2 434.547 5.049 3 0 IKAFLO Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000095600923 563192713 /nfs/dbraw/zinc/19/27/13/563192713.db2.gz PESPCUGPWGZMLC-SANMLTNESA-N 1 2 434.547 5.049 3 0 IKAFLO Nc1nccn2c(C3CCC3)[nH+]c(-c3ccc(Oc4ccccc4)cc3OC(F)(F)F)c12 ZINC000096168067 563195236 /nfs/dbraw/zinc/19/52/36/563195236.db2.gz RNQVJBNDDSNCHS-UHFFFAOYSA-N 1 2 440.425 5.937 1 0 IKAFLO O=C(Nc1cc2[nH]c(-c3cccs3)[nH+]c2cc1N1CCCCC1)OCc1ccccc1 ZINC000096928347 563198338 /nfs/dbraw/zinc/19/83/38/563198338.db2.gz UAXZHNBBOPMNDA-UHFFFAOYSA-N 1 2 432.549 6.030 1 0 IKAFLO COc1ccccc1C(=O)Nc1cc2[nH]c(-c3cccs3)[nH+]c2cc1N1CCCCC1 ZINC000096928348 563198371 /nfs/dbraw/zinc/19/83/71/563198371.db2.gz UWJSOQBLVMHBRO-UHFFFAOYSA-N 1 2 432.549 5.543 1 0 IKAFLO COc1ccc(NCc2c[nH+]cn2Cc2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000096940282 563200179 /nfs/dbraw/zinc/20/01/79/563200179.db2.gz VPCHTNHRHPXACF-UHFFFAOYSA-N 1 2 446.554 6.281 1 0 IKAFLO Cc1sc2[nH+]c3c(c(NCCCCN4C(=O)c5ccccc5C4=O)c2c1C)CCCC3 ZINC000098082251 563200470 /nfs/dbraw/zinc/20/04/70/563200470.db2.gz MDMNBQJKTKMNTP-UHFFFAOYSA-N 1 2 433.577 5.280 1 0 IKAFLO Nc1cc(OCCCc2ccccc2)c2c([nH]c(-c3ccc(F)cc3)c2-c2ccncc2)[nH+]1 ZINC000003815688 562938592 /nfs/dbraw/zinc/93/85/92/562938592.db2.gz FDVXDXGMVYUYFV-UHFFFAOYSA-N 1 2 438.506 6.025 1 0 IKAFLO O=C(Oc1ccccc1)N1CCC2(CCC[N@@H+](c3cccc(-c4ccccc4)c3)C2)CC1 ZINC000003956275 562939946 /nfs/dbraw/zinc/93/99/46/562939946.db2.gz JCFFHEXIBWRWDE-UHFFFAOYSA-N 1 2 426.560 6.235 1 0 IKAFLO O=C(Oc1ccccc1)N1CCC2(CCC[N@H+](c3cccc(-c4ccccc4)c3)C2)CC1 ZINC000003956275 562939947 /nfs/dbraw/zinc/93/99/47/562939947.db2.gz JCFFHEXIBWRWDE-UHFFFAOYSA-N 1 2 426.560 6.235 1 0 IKAFLO COc1ccccc1Sc1ccc(-c2cc[nH+]c(N3CC[C@@H](O)C3)c2)cc1C(F)(F)F ZINC000003965944 562940182 /nfs/dbraw/zinc/94/01/82/562940182.db2.gz ROCDTGHUIQLNBL-QGZVFWFLSA-N 1 2 446.494 5.498 1 0 IKAFLO COCc1ccc(C[N@@H+]2CCOc3c(O)cc(-c4cc(C)c5ccc(F)cc5n4)cc3C2)o1 ZINC000012031330 562980467 /nfs/dbraw/zinc/98/04/67/562980467.db2.gz ZDWJFDKCVNPBGF-UHFFFAOYSA-N 1 2 448.494 5.189 1 0 IKAFLO COCc1ccc(C[N@H+]2CCOc3c(O)cc(-c4cc(C)c5ccc(F)cc5n4)cc3C2)o1 ZINC000012031330 562980468 /nfs/dbraw/zinc/98/04/68/562980468.db2.gz ZDWJFDKCVNPBGF-UHFFFAOYSA-N 1 2 448.494 5.189 1 0 IKAFLO COCc1ccc(C[N@@H+]2CCOc3c(cc(-c4ccc(SC)cc4)cc3OC)C2)o1 ZINC000012078469 562980663 /nfs/dbraw/zinc/98/06/63/562980663.db2.gz ZBMNFXNQFXORNG-UHFFFAOYSA-N 1 2 425.550 5.218 1 0 IKAFLO COCc1ccc(C[N@H+]2CCOc3c(cc(-c4ccc(SC)cc4)cc3OC)C2)o1 ZINC000012078469 562980665 /nfs/dbraw/zinc/98/06/65/562980665.db2.gz ZBMNFXNQFXORNG-UHFFFAOYSA-N 1 2 425.550 5.218 1 0 IKAFLO CCCN(CCC)c1nccn2c(N(CC)c3ccc(Cl)cc3Cl)[nH+]c(CC)c12 ZINC000013437367 562986044 /nfs/dbraw/zinc/98/60/44/562986044.db2.gz IFVXGJWSBLXKRB-UHFFFAOYSA-N 1 2 434.415 6.383 1 0 IKAFLO CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)NC)CC1 ZINC000013455579 562987608 /nfs/dbraw/zinc/98/76/08/562987608.db2.gz LQLJVDXDUMLJJC-ZWKOTPCHSA-N 1 2 428.617 5.088 1 0 IKAFLO CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)NC)CC1 ZINC000013455579 562987609 /nfs/dbraw/zinc/98/76/09/562987609.db2.gz LQLJVDXDUMLJJC-ZWKOTPCHSA-N 1 2 428.617 5.088 1 0 IKAFLO CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)NC)CC1 ZINC000013455585 562987633 /nfs/dbraw/zinc/98/76/33/562987633.db2.gz LQLJVDXDUMLJJC-ROUUACIJSA-N 1 2 428.617 5.088 1 0 IKAFLO CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)NC)CC1 ZINC000013455585 562987634 /nfs/dbraw/zinc/98/76/34/562987634.db2.gz LQLJVDXDUMLJJC-ROUUACIJSA-N 1 2 428.617 5.088 1 0 IKAFLO Cc1cc2[nH]c(CCN(Cc3cccnc3)C(=S)Nc3ccc(F)cc3)[nH+]c2cc1C ZINC000013477537 562989098 /nfs/dbraw/zinc/98/90/98/562989098.db2.gz ZNERFEJCRFYHII-UHFFFAOYSA-N 1 2 433.556 5.156 3 0 IKAFLO Fc1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)cn2-c2ccc(F)cc2)cc1 ZINC000013491650 562990418 /nfs/dbraw/zinc/99/04/18/562990418.db2.gz OCPUMUSLGLBFKT-UHFFFAOYSA-N 1 2 430.502 5.140 1 0 IKAFLO Clc1ccc(N2CC[NH+](Cc3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)cc1 ZINC000013491641 562990477 /nfs/dbraw/zinc/99/04/77/562990477.db2.gz VVXPDQWPTOGEHG-UHFFFAOYSA-N 1 2 428.967 5.515 1 0 IKAFLO CCOc1ccccc1N1CC[NH+](Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC000013491649 562990491 /nfs/dbraw/zinc/99/04/91/562990491.db2.gz VVYABMSSBXSXFF-UHFFFAOYSA-N 1 2 438.575 5.260 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c2cc1OC ZINC000013610068 562997693 /nfs/dbraw/zinc/99/76/93/562997693.db2.gz BVSYMJUCSKOBAS-UHFFFAOYSA-N 1 2 433.439 5.827 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)Nc4cccc(C)c4)cc3)c2cc1OC ZINC000013610090 562997697 /nfs/dbraw/zinc/99/76/97/562997697.db2.gz CJPNTWIJDMEPOG-UHFFFAOYSA-N 1 2 429.476 5.997 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1OC ZINC000013610115 562997794 /nfs/dbraw/zinc/99/77/94/562997794.db2.gz RGAHTFBLOZYPNE-UHFFFAOYSA-N 1 2 449.894 6.342 1 0 IKAFLO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2[nH]cc(C[NH+](C)C)c2c1 ZINC000013611714 562997851 /nfs/dbraw/zinc/99/78/51/562997851.db2.gz HEXLAVRQPAXCGQ-UHFFFAOYSA-N 1 2 433.986 5.207 1 0 IKAFLO O=C(C[NH+]1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000013612719 562998053 /nfs/dbraw/zinc/99/80/53/562998053.db2.gz BKOKJBYJXSVYSS-UHFFFAOYSA-N 1 2 447.579 5.294 1 0 IKAFLO CCCc1[nH+]c2c(cc(C[NH+](C)C)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732092 563001920 /nfs/dbraw/zinc/00/19/20/563001920.db2.gz CAQRHLOFHNXARY-UHFFFAOYSA-N 1 2 441.575 5.772 1 0 IKAFLO Clc1ccc2c(c1)CCc1cccnc1C2=C1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000013738236 563002754 /nfs/dbraw/zinc/00/27/54/563002754.db2.gz PQIFGRSJIPGQGK-UHFFFAOYSA-N 1 2 436.386 5.980 1 0 IKAFLO Clc1sccc1CO[C@@H]1c2cc(Br)ccc2S[C@@H]1Cn1cc[nH+]c1 ZINC000013775772 563005687 /nfs/dbraw/zinc/00/56/87/563005687.db2.gz ISIPTFMYNCJCQF-HZPDHXFCSA-N 1 2 441.803 5.793 1 0 IKAFLO Clc1ccc2c(c1)S[C@H](Cn1cc[nH+]c1)[C@@H]2OCc1ccc(Cl)c(Cl)c1 ZINC000013775793 563005773 /nfs/dbraw/zinc/00/57/73/563005773.db2.gz RABCTYBZXGVXFS-RTBURBONSA-N 1 2 425.768 6.276 1 0 IKAFLO Clc1ccc2c(c1)S[C@@H](Cn1cc[nH+]c1)[C@@H]2OCc1ccc(Cl)cc1Cl ZINC000013775792 563005781 /nfs/dbraw/zinc/00/57/81/563005781.db2.gz GDQODJLFRNJZPE-RBUKOAKNSA-N 1 2 425.768 6.276 1 0 IKAFLO Clc1ccc2c(c1)[C@H](OCc1c(Cl)cccc1Cl)[C@H](Cn1cc[nH+]c1)S2 ZINC000013775785 563005812 /nfs/dbraw/zinc/00/58/12/563005812.db2.gz ZAALNFSOYYCKNV-OALUTQOASA-N 1 2 425.768 6.276 1 0 IKAFLO Clc1ccc2c(c1)S[C@H](Cn1cc[nH+]c1)[C@H]2OCc1ccc(Cl)cc1Cl ZINC000013775789 563005835 /nfs/dbraw/zinc/00/58/35/563005835.db2.gz GDQODJLFRNJZPE-MOPGFXCFSA-N 1 2 425.768 6.276 1 0 IKAFLO Clc1ccc2c(c1)[C@H](OCc1ccc(Cl)cc1Cl)[C@H](Cn1cc[nH+]c1)S2 ZINC000013775783 563005838 /nfs/dbraw/zinc/00/58/38/563005838.db2.gz QUQDOQTVANCRAB-OALUTQOASA-N 1 2 425.768 6.276 1 0 IKAFLO CCCCCNC(=O)Nc1c(NC)cccc1OCCCn1c[nH+]c(-c2ccccc2)c1C ZINC000013827624 563010703 /nfs/dbraw/zinc/01/07/03/563010703.db2.gz OYJATRYNSJBDHY-UHFFFAOYSA-N 1 2 449.599 5.681 1 0 IKAFLO CCCCCCNC(=O)Nc1c(C)cccc1OCCCn1c[nH+]c(-c2ccccc2)c1C ZINC000013827680 563010706 /nfs/dbraw/zinc/01/07/06/563010706.db2.gz RKJGLNYXQFDUSX-UHFFFAOYSA-N 1 2 448.611 6.338 1 0 IKAFLO CCCCNC(=O)Nc1c(C)cccc1OCCCn1c[nH+]c(-c2ccccc2)c1C(C)C ZINC000013827818 563010763 /nfs/dbraw/zinc/01/07/63/563010763.db2.gz WUUHIJKNNRVBCV-UHFFFAOYSA-N 1 2 448.611 6.373 1 0 IKAFLO CCc1c(-c2ccccc2)[nH+]cn1CCCOc1cccc(C)c1NC(=O)NCCC(C)C ZINC000013827829 563010833 /nfs/dbraw/zinc/01/08/33/563010833.db2.gz JFFJPGREVWZSDU-UHFFFAOYSA-N 1 2 448.611 6.058 1 0 IKAFLO Nc1nc2[nH]c(Cc3ccc(Cl)cc3)cc2c(Nc2cccc(Br)c2)[nH+]1 ZINC000013859508 563012358 /nfs/dbraw/zinc/01/23/58/563012358.db2.gz YHWUBFBUCSKQSU-UHFFFAOYSA-N 1 2 428.721 5.290 1 0 IKAFLO COc1ccc2[nH]c(C(=O)N3CCC(n4c(CC(C)C)[nH+]c5ccccc54)CC3)cc2c1 ZINC000014976940 563017110 /nfs/dbraw/zinc/01/71/10/563017110.db2.gz YOKYFNIZXANDKH-UHFFFAOYSA-N 1 2 430.552 5.202 1 0 IKAFLO c1c2ccccc2sc1CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938616 563026576 /nfs/dbraw/zinc/02/65/76/563026576.db2.gz OFISADYWEOBLPB-UHFFFAOYSA-N 1 2 442.628 5.825 1 0 IKAFLO Nc1[nH+]cnc2c1c(-c1ccc(Oc3ccccc3)cc1)c(Br)n2C1CCCC1 ZINC000026265457 563030245 /nfs/dbraw/zinc/03/02/45/563030245.db2.gz XPDAMMJGEHXXPI-UHFFFAOYSA-N 1 2 449.352 6.350 1 0 IKAFLO Cc1ccc(N[C@@H](C(=O)CCc2c[nH+]c[nH]2)c2ccccc2Br)c(Cl)c1 ZINC000026485207 563032319 /nfs/dbraw/zinc/03/23/19/563032319.db2.gz CKEWBVKRLQFWPT-HXUWFJFHSA-N 1 2 432.749 5.489 1 0 IKAFLO Cc1ccc(N[C@@H](C(=O)CCc2c[nH]c[nH+]2)c2ccccc2Br)c(Cl)c1 ZINC000026485207 563032320 /nfs/dbraw/zinc/03/23/20/563032320.db2.gz CKEWBVKRLQFWPT-HXUWFJFHSA-N 1 2 432.749 5.489 1 0 IKAFLO CC(C)C(C(C)C)N(Cc1c[nH+]c[nH]1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000026658506 563034879 /nfs/dbraw/zinc/03/48/79/563034879.db2.gz VTCIHKOIVDQJJP-UHFFFAOYSA-N 1 2 446.016 5.602 1 0 IKAFLO CC(C)C(C(C)C)N(Cc1c[nH]c[nH+]1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000026658506 563034881 /nfs/dbraw/zinc/03/48/81/563034881.db2.gz VTCIHKOIVDQJJP-UHFFFAOYSA-N 1 2 446.016 5.602 1 0 IKAFLO CCn1cc(-c2ccc(Cl)cc2)c([C@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)c1 ZINC000026663799 563035120 /nfs/dbraw/zinc/03/51/20/563035120.db2.gz OFUNZKRKGDGTFJ-QFIPXVFZSA-N 1 2 430.766 6.969 1 0 IKAFLO CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)N(C)C)CC1 ZINC000026666950 563035221 /nfs/dbraw/zinc/03/52/21/563035221.db2.gz ZRJKLVGIKAJOHF-RTBURBONSA-N 1 2 442.644 5.431 1 0 IKAFLO CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)N(C)C)CC1 ZINC000026666950 563035222 /nfs/dbraw/zinc/03/52/22/563035222.db2.gz ZRJKLVGIKAJOHF-RTBURBONSA-N 1 2 442.644 5.431 1 0 IKAFLO Nc1cc(OCc2ccc(F)cc2)c2c([nH]c(-c3ccc(F)cc3)c2-c2ccncc2)[nH+]1 ZINC000026983612 563038495 /nfs/dbraw/zinc/03/84/95/563038495.db2.gz AKHMXEIJWVZWHP-UHFFFAOYSA-N 1 2 428.442 5.731 1 0 IKAFLO Cc1ccc(S(=O)(=O)n2cc([C@H](c3ccccc3)n3cc[nH+]c3)c3ccccc32)cc1 ZINC000026996566 563038855 /nfs/dbraw/zinc/03/88/55/563038855.db2.gz XORQZPXHOQCAFD-VWLOTQADSA-N 1 2 427.529 5.021 1 0 IKAFLO Fc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@@H](C3)[N@@H+]1Cc1ccccc1I ZINC000027103418 563039776 /nfs/dbraw/zinc/03/97/76/563039776.db2.gz CNZSXTHEHFCADJ-IFXJQAMLSA-N 1 2 432.280 5.173 1 0 IKAFLO Fc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@@H](C3)[N@H+]1Cc1ccccc1I ZINC000027103418 563039777 /nfs/dbraw/zinc/03/97/77/563039777.db2.gz CNZSXTHEHFCADJ-IFXJQAMLSA-N 1 2 432.280 5.173 1 0 IKAFLO CC[C@H](C)n1cc[nH+]c1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC ZINC000027203419 563040703 /nfs/dbraw/zinc/04/07/03/563040703.db2.gz WKDFZLJOXQLYJI-HNNXBMFYSA-N 1 2 447.804 6.731 1 0 IKAFLO Oc1ccc2c(c1)OC=C(C[NH+]1CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)O2 ZINC000027307703 563041294 /nfs/dbraw/zinc/04/12/94/563041294.db2.gz NAJVEAACYYTWIP-UHFFFAOYSA-N 1 2 447.481 5.881 1 0 IKAFLO C=C1[NH+]=C(c2ccc(OC)cc2)C(C(=O)OCC)[C@@H](/C=C/c2ccccc2)C1C(=O)OCC ZINC000027525527 563043141 /nfs/dbraw/zinc/04/31/41/563043141.db2.gz CFWJOMHDLLNRDC-XWTTUXIFSA-N 1 2 447.531 5.580 1 0 IKAFLO Cc1ccc(C(=O)CCC[N@@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027721501 563045915 /nfs/dbraw/zinc/04/59/15/563045915.db2.gz YIYUJPAULRIPTJ-UHFFFAOYSA-N 1 2 444.525 6.238 1 0 IKAFLO Cc1ccc(C(=O)CCC[N@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027721501 563045917 /nfs/dbraw/zinc/04/59/17/563045917.db2.gz YIYUJPAULRIPTJ-UHFFFAOYSA-N 1 2 444.525 6.238 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)c(C)c3)c2cc1OC ZINC000027990279 563048975 /nfs/dbraw/zinc/04/89/75/563048975.db2.gz CIPUKNGOIHCNMI-UHFFFAOYSA-N 1 2 442.559 7.394 1 0 IKAFLO COc1ccc2c(c1OC)[C@H](Cc1ccccc1)[N@H+]1CCc3cc(OC)c(OC)cc3[C@@H]1C2 ZINC000028391644 563054504 /nfs/dbraw/zinc/05/45/04/563054504.db2.gz SXTAUSJLLADWLQ-GOTSBHOMSA-N 1 2 445.559 5.160 1 0 IKAFLO COc1ccc2c(c1OC)[C@H](Cc1ccccc1)[N@@H+]1CCc3cc(OC)c(OC)cc3[C@@H]1C2 ZINC000028391644 563054506 /nfs/dbraw/zinc/05/45/06/563054506.db2.gz SXTAUSJLLADWLQ-GOTSBHOMSA-N 1 2 445.559 5.160 1 0 IKAFLO c1ccc(C2=C(c3ccc(OCC[NH+]4CCOCC4)cc3)c3ccccc3OCC2)cc1 ZINC000028461075 563055087 /nfs/dbraw/zinc/05/50/87/563055087.db2.gz ZQCZXXGPQMGPTR-UHFFFAOYSA-N 1 2 427.544 5.139 1 0 IKAFLO CCn1cc(-c2cccc3ccccc32)c([C@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)c1 ZINC000028468901 563055481 /nfs/dbraw/zinc/05/54/81/563055481.db2.gz OGUXNYIWVMPLKT-SANMLTNESA-N 1 2 446.381 7.469 1 0 IKAFLO CCCn1cc(-c2ccc(Cl)cc2)c([C@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)c1 ZINC000028473765 563055638 /nfs/dbraw/zinc/05/56/38/563055638.db2.gz GOIJKKQZIHTWJK-QHCPKHFHSA-N 1 2 444.793 7.360 1 0 IKAFLO O=C(Nc1ccccc1)N1CCC(c2[nH+]ccn2Cc2ccccc2)(c2ccccc2)CC1 ZINC000028566226 563058218 /nfs/dbraw/zinc/05/82/18/563058218.db2.gz SSXWGBNGZDJNOZ-UHFFFAOYSA-N 1 2 436.559 5.545 1 0 in-vivo IKAFLO FC(F)(F)c1cc(-c2ccc(-c3ccccc3)cc2)nn1-c1cc[nH+]c2cc(Cl)ccc21 ZINC000028568203 563058423 /nfs/dbraw/zinc/05/84/23/563058423.db2.gz KKVHRJIFUUZCSS-UHFFFAOYSA-N 1 2 449.863 7.427 1 0 IKAFLO CCC[C@H](O)c1c[nH+]c([C@H](C)CC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569223 563058680 /nfs/dbraw/zinc/05/86/80/563058680.db2.gz YPDHBJDSZAAURZ-WBMJQRKESA-N 1 2 438.412 5.532 1 0 IKAFLO CCN[C@H](c1c(Cl)cc(O)cc1Cl)[C@H]([NH2+]CC)c1c(Cl)cc(O)cc1Cl ZINC000028769571 563064299 /nfs/dbraw/zinc/06/42/99/563064299.db2.gz UZLSQSZSEHSGNT-QZTJIDSGSA-N 1 2 438.182 5.713 1 0 IKAFLO CCOC(=O)C[C@@H](CCCCCn1c(C)[nH+]c(-c2ccccc2)c1-c1ccccc1)C(C)C ZINC000028821677 563065470 /nfs/dbraw/zinc/06/54/70/563065470.db2.gz RZJZSMOCWTXXTM-AREMUKBSSA-N 1 2 446.635 7.311 1 0 IKAFLO Cc1ccc2c(NC[C@](O)(C[C@]3(C)CCCc4ccccc43)C(F)(F)F)cccc2[nH+]1 ZINC000028826276 563066474 /nfs/dbraw/zinc/06/64/74/563066474.db2.gz DHLZHFIJSYWCJK-BJKOFHAPSA-N 1 2 428.498 5.933 1 0 IKAFLO Nc1nccn2c(C3CCC3)[nH+]c(-c3cccc(OCc4c(Cl)cccc4Cl)c3)c12 ZINC000028885496 563068003 /nfs/dbraw/zinc/06/80/03/563068003.db2.gz KQXYLZOGVVHRFX-UHFFFAOYSA-N 1 2 439.346 6.132 1 0 IKAFLO Nc1nccn2c(C3CCC3)[nH+]c(-c3cccc(OCc4ccccc4OC(F)F)c3)c12 ZINC000028885365 563068047 /nfs/dbraw/zinc/06/80/47/563068047.db2.gz SYXCOPRMXTYKNO-UHFFFAOYSA-N 1 2 436.462 5.426 1 0 IKAFLO NC(=O)c1c[nH+]c2cc(-c3ccc(C(=O)C4CCCC4)cc3)ccc2c1Nc1ccccc1 ZINC000028960595 563070747 /nfs/dbraw/zinc/07/07/47/563070747.db2.gz TURITJGBAMUOHE-UHFFFAOYSA-N 1 2 435.527 6.117 1 0 IKAFLO CCc1ccccc1-c1cc(OC)c2c([nH+]1)CCC[C@@H]2N(CC)c1cccc2ccccc21 ZINC000029053812 563073245 /nfs/dbraw/zinc/07/32/45/563073245.db2.gz MMXMFMPXNVWWPU-NDEPHWFRSA-N 1 2 436.599 7.377 1 0 IKAFLO COc1ccc([C@@H]2CC[C@H](OCc3ccc(-n4c(C)[nH+]c5ccccc54)cc3)O2)cc1OC ZINC000029311239 563077524 /nfs/dbraw/zinc/07/75/24/563077524.db2.gz HJQFXLTXKOEJDR-RPLLCQBOSA-N 1 2 444.531 5.746 1 0 IKAFLO Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)[NH+]2CCOCC2)c(C)c1 ZINC000031715915 563083391 /nfs/dbraw/zinc/08/33/91/563083391.db2.gz LZSRHPZGZOQOMC-SXOMAYOGSA-N 1 2 429.560 5.583 1 0 IKAFLO Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH+]2CCOCC2)c(C)c1 ZINC000031715913 563083396 /nfs/dbraw/zinc/08/33/96/563083396.db2.gz LZSRHPZGZOQOMC-KAYWLYCHSA-N 1 2 429.560 5.583 1 0 IKAFLO Clc1ccc([C@@H](CCOc2ccc(Br)cc2)Cn2cc[nH+]c2)c(Cl)c1 ZINC000033493838 563084520 /nfs/dbraw/zinc/08/45/20/563084520.db2.gz FVEQGTXOBNBFPK-AWEZNQCLSA-N 1 2 440.168 6.205 1 0 IKAFLO COc1ccc(OC)c(-c2[nH+]c3ccc(Br)cn3c2NCc2ccccc2)c1 ZINC000033887411 563084962 /nfs/dbraw/zinc/08/49/62/563084962.db2.gz XYIFDPBEKWRUEA-UHFFFAOYSA-N 1 2 438.325 5.393 1 0 IKAFLO O=C(O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000039233051 563098905 /nfs/dbraw/zinc/09/89/05/563098905.db2.gz GTJGKVOCMBQPQR-KRWDZBQOSA-N 1 2 430.118 6.095 1 0 IKAFLO O=c1c(-c2ccc(C(F)(F)F)cc2)cccn1[C@H](CN1C=CC=CC=[NH+]1)c1ccccc1 ZINC000036190473 563092025 /nfs/dbraw/zinc/09/20/25/563092025.db2.gz YITOFYWWKAQJCU-HSZRJFAPSA-N 1 2 435.449 5.495 1 0 IKAFLO COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(C)[nH+]c(C)c2[nH]1)C(F)(F)F ZINC000036426051 563095219 /nfs/dbraw/zinc/09/52/19/563095219.db2.gz CXXWEXDTTVWKSJ-QFIPXVFZSA-N 1 2 438.465 5.531 1 0 IKAFLO COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4cc[nH+]cc4)c(=N)c32)c1 ZINC000038142929 563096170 /nfs/dbraw/zinc/09/61/70/563096170.db2.gz KUCCLDAIHJALRJ-QHCPKHFHSA-N 1 2 432.483 5.194 1 0 IKAFLO C(=C/c1ccccc1)\CN1CC[NH+](CCCCn2c3ccccc3c3c2CCCC3)CC1 ZINC000040379680 563099472 /nfs/dbraw/zinc/09/94/72/563099472.db2.gz LSGHEYFAOKSPIN-JLHYYAGUSA-N 1 2 427.636 5.631 1 0 IKAFLO C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(-c4cccc(Cl)c4Cl)c3n2)CC1 ZINC000040379597 563099480 /nfs/dbraw/zinc/09/94/80/563099480.db2.gz HHAVQAFNNPOLLY-UHFFFAOYSA-N 1 2 441.284 5.374 1 0 IKAFLO Cc1ccccc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NC2CCCCCC2)CC1 ZINC000040423649 563102655 /nfs/dbraw/zinc/10/26/55/563102655.db2.gz AMOQRGVXFGDBST-RUZDIDTESA-N 1 2 440.031 5.788 1 0 IKAFLO COc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3cc[nH+]c3)O2)cc1 ZINC000040763453 563106448 /nfs/dbraw/zinc/10/64/48/563106448.db2.gz MUSDNMUEOVYGKB-JTHBVZDNSA-N 1 2 444.984 5.082 1 0 IKAFLO Cc1cc(Sc2ccc(Cl)cc2)c2[nH+]cc(CSCCc3ccccc3)n2c1 ZINC000040938546 563113234 /nfs/dbraw/zinc/11/32/34/563113234.db2.gz DEASUYAJJQQLSS-UHFFFAOYSA-N 1 2 425.022 6.923 1 0 IKAFLO COC(=O)c1ccc(NCc2c[nH+]cn2Cc2cccc(Cl)c2)cc1-c1ccccc1 ZINC000040975695 563115304 /nfs/dbraw/zinc/11/53/04/563115304.db2.gz FZGAUMSBJSEVJL-UHFFFAOYSA-N 1 2 431.923 5.651 1 0 IKAFLO O=C(NCC(F)(F)F)Nc1cccc(-c2c[nH+]c3cc(-c4ccc(F)cc4)ccn32)c1 ZINC000043197027 563119258 /nfs/dbraw/zinc/11/92/58/563119258.db2.gz BCAIAJFLSCRMPZ-UHFFFAOYSA-N 1 2 428.389 5.491 1 0 IKAFLO CC[C@@H](C)NS(=O)(=O)c1ccc2[nH+]c(Nc3ccc(C)cc3)n([C@H](C)C(C)(C)C)c2c1 ZINC000045186524 563122768 /nfs/dbraw/zinc/12/27/68/563122768.db2.gz APWADVQLCPBBJV-QZTJIDSGSA-N 1 2 442.629 5.772 1 0 IKAFLO CC[C@H](C)NS(=O)(=O)c1ccc2[nH+]c(Nc3ccc(C)cc3)n([C@H](C)C(C)(C)C)c2c1 ZINC000045186527 563122819 /nfs/dbraw/zinc/12/28/19/563122819.db2.gz APWADVQLCPBBJV-ZWKOTPCHSA-N 1 2 442.629 5.772 1 0 IKAFLO Cc1noc(C)c1-c1ccc2c(c1)[nH+]cc(C(N)=O)c2Nc1ccc(C(F)(F)F)cc1 ZINC000045201148 563124757 /nfs/dbraw/zinc/12/47/57/563124757.db2.gz YBUWPHQILHWMRM-UHFFFAOYSA-N 1 2 426.398 5.368 1 0 IKAFLO CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)oc(=O)c1c2CC[N@H+](Cc2ccccc2)C1 ZINC000045202574 563125086 /nfs/dbraw/zinc/12/50/86/563125086.db2.gz UOFOOSVHSIWUSB-VQTJNVASSA-N 1 2 433.592 6.377 1 0 IKAFLO CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)oc(=O)c1c2CC[N@@H+](Cc2ccccc2)C1 ZINC000045202574 563125087 /nfs/dbraw/zinc/12/50/87/563125087.db2.gz UOFOOSVHSIWUSB-VQTJNVASSA-N 1 2 433.592 6.377 1 0 IKAFLO C[C@H](c1ccccc1)[N@@H+]1CCC(=O)[C@@]2(C1)ON=C(c1ccc(Cl)cc1)[C@H]2c1ccccc1 ZINC000045286775 563128392 /nfs/dbraw/zinc/12/83/92/563128392.db2.gz UEYSORMHNYKTNT-DSSGHVNRSA-N 1 2 444.962 5.633 1 0 IKAFLO C[C@H](c1ccccc1)[N@H+]1CCC(=O)[C@@]2(C1)ON=C(c1ccc(Cl)cc1)[C@H]2c1ccccc1 ZINC000045286775 563128394 /nfs/dbraw/zinc/12/83/94/563128394.db2.gz UEYSORMHNYKTNT-DSSGHVNRSA-N 1 2 444.962 5.633 1 0 IKAFLO Cc1ccc2[nH]c(-c3ccccc3Nc3cc[nH+]c4cc(-c5nccs5)ccc34)nc2c1 ZINC000045323860 563130729 /nfs/dbraw/zinc/13/07/29/563130729.db2.gz IAEPRKXFLZTZGB-UHFFFAOYSA-N 1 2 433.540 6.954 1 0 IKAFLO Cc1ccc2nc(-c3ccccc3Nc3cc[nH+]c4cc(-c5nccs5)ccc34)[nH]c2c1 ZINC000045323860 563130731 /nfs/dbraw/zinc/13/07/31/563130731.db2.gz IAEPRKXFLZTZGB-UHFFFAOYSA-N 1 2 433.540 6.954 1 0 IKAFLO COC(=O)[C@H](Cc1c2ccccc2sc1-c1ccc(OC)cc1)[NH2+]Cc1ccccc1 ZINC000045350579 563132241 /nfs/dbraw/zinc/13/22/41/563132241.db2.gz GRZBEVWILOYFMI-QHCPKHFHSA-N 1 2 431.557 5.451 1 0 IKAFLO CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3cn[nH]n3)cc2)[nH+]1 ZINC000049049476 563136786 /nfs/dbraw/zinc/13/67/86/563136786.db2.gz UQZBJCNYORYKRJ-UHFFFAOYSA-N 1 2 429.568 5.538 1 0 IKAFLO CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3c[nH]nn3)cc2)[nH+]1 ZINC000049049476 563136787 /nfs/dbraw/zinc/13/67/87/563136787.db2.gz UQZBJCNYORYKRJ-UHFFFAOYSA-N 1 2 429.568 5.538 1 0 IKAFLO NC(=O)c1ccc2c(c1)[nH+]c(NCc1ccccc1Cl)n2CCc1c[nH]c2ccccc12 ZINC000049112907 563138389 /nfs/dbraw/zinc/13/83/89/563138389.db2.gz HKBHNZWWRRRSCH-UHFFFAOYSA-N 1 2 443.938 5.125 1 0 IKAFLO C[C@]1(C(=O)NCc2cccc3ccccc32)CC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000061895836 563147265 /nfs/dbraw/zinc/14/72/65/563147265.db2.gz GNTSPMKBXYLCCF-HSZRJFAPSA-N 1 2 428.454 5.019 3 0 IKAFLO C[C@]1(C(=O)NCc2cccc3ccccc32)CC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000061895836 563147266 /nfs/dbraw/zinc/14/72/66/563147266.db2.gz GNTSPMKBXYLCCF-HSZRJFAPSA-N 1 2 428.454 5.019 3 0 IKAFLO Cc1c(Br)cccc1NC(=O)[C@]1(C)CC[N@H+]1Cc1ccc(OC(C)C)cc1 ZINC000061902624 563147785 /nfs/dbraw/zinc/14/77/85/563147785.db2.gz GEGUXXKFUUZUGY-QFIPXVFZSA-N 1 2 431.374 5.148 3 0 IKAFLO Cc1c(Br)cccc1NC(=O)[C@]1(C)CC[N@@H+]1Cc1ccc(OC(C)C)cc1 ZINC000061902624 563147786 /nfs/dbraw/zinc/14/77/86/563147786.db2.gz GEGUXXKFUUZUGY-QFIPXVFZSA-N 1 2 431.374 5.148 3 0 IKAFLO C[C@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000061926701 563149964 /nfs/dbraw/zinc/14/99/64/563149964.db2.gz IVDRYGBXNWRUOJ-HSZRJFAPSA-N 1 2 428.454 5.246 3 0 IKAFLO C[C@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000061926701 563149965 /nfs/dbraw/zinc/14/99/65/563149965.db2.gz IVDRYGBXNWRUOJ-HSZRJFAPSA-N 1 2 428.454 5.246 3 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc4c(cccc4C(=O)NCC(F)F)c3)c2cc1OC ZINC000064532291 563154955 /nfs/dbraw/zinc/15/49/55/563154955.db2.gz KLSKTLMPLAHDLF-UHFFFAOYSA-N 1 2 438.430 5.192 1 0 IKAFLO O=C1OC2(CN1c1ccc(F)cc1)CCC(c1[nH]c3ccc(OC(F)(F)F)cc3[nH+]1)CC2 ZINC000064573633 563156484 /nfs/dbraw/zinc/15/64/84/563156484.db2.gz LZYDRCATBMQDRA-UHFFFAOYSA-N 1 2 449.404 5.654 1 0 IKAFLO COc1cc(-c2onc3c2CCCN3Cc2cc(F)cc(F)c2)ccc1-n1c[nH+]c(C)c1 ZINC000066103127 563158554 /nfs/dbraw/zinc/15/85/54/563158554.db2.gz MBDLUTZDIUTHTF-UHFFFAOYSA-N 1 2 436.462 5.075 1 0 IKAFLO CCOc1ccc2ccccc2c1Nc1ccc([C@@H](n2cc[nH+]c2)C(C)(C)C(=O)OC)cc1 ZINC000071330294 563162441 /nfs/dbraw/zinc/16/24/41/563162441.db2.gz NANFXTXUURYZJT-RUZDIDTESA-N 1 2 443.547 5.967 1 0 IKAFLO Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072139513 563164331 /nfs/dbraw/zinc/16/43/31/563164331.db2.gz SDKMEXVHAJFAST-MGUPHCMFSA-N 1 2 439.603 5.314 3 0 IKAFLO Cc1cn(-c2ccc(-c3ccc(N[C@@H](C)c4ccc(F)cc4)nc3)cc2OC(C)C)c[nH+]1 ZINC000072176321 563165589 /nfs/dbraw/zinc/16/55/89/563165589.db2.gz YBLMUAJROLCROR-IBGZPJMESA-N 1 2 430.527 6.342 1 0 IKAFLO O=C(C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)N(c1ccccc1)c1ccccc1 ZINC000073157326 563169138 /nfs/dbraw/zinc/16/91/38/563169138.db2.gz KOHNNAYDCSEQNR-UHFFFAOYSA-N 1 2 440.374 5.480 1 0 IKAFLO COc1ccc(Br)cc1-c1csc(Nc2ccc(-n3c[nH+]c(C)c3)cc2)n1 ZINC000073160581 563169348 /nfs/dbraw/zinc/16/93/48/563169348.db2.gz GDEPVUVIBMMPRS-UHFFFAOYSA-N 1 2 441.354 5.819 1 0 IKAFLO CC(C)Oc1ccc(C(=O)N2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000073221151 563170506 /nfs/dbraw/zinc/17/05/06/563170506.db2.gz TVBZNJRDTLLUIH-UHFFFAOYSA-N 1 2 430.548 5.224 1 0 IKAFLO Nc1nc2c(ccn2Cc2cccc3ccccc32)c(Nc2cccc(Br)c2)[nH+]1 ZINC000073296351 563172161 /nfs/dbraw/zinc/17/21/61/563172161.db2.gz XETBAKDIRRDIRG-UHFFFAOYSA-N 1 2 444.336 5.721 1 0 IKAFLO Nc1nc2c(ccn2Cc2ccccc2Cl)c(Nc2cccc(Br)c2)[nH+]1 ZINC000073312773 563172347 /nfs/dbraw/zinc/17/23/47/563172347.db2.gz AIZJPCNAKJGBKZ-UHFFFAOYSA-N 1 2 428.721 5.221 1 0 IKAFLO COc1ccccc1Cc1c(-c2ccc(C)cc2)[nH+]c2cc(C)c(Br)c(C)n21 ZINC000073351364 563172546 /nfs/dbraw/zinc/17/25/46/563172546.db2.gz CAUNAAGRGFGGPS-UHFFFAOYSA-N 1 2 435.365 6.288 3 0 IKAFLO COc1ccc(Cn2c3ccccc3[nH+]c2N[C@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000084635328 563174808 /nfs/dbraw/zinc/17/48/08/563174808.db2.gz ZNQYFMWXTMEFJZ-QGZVFWFLSA-N 1 2 448.954 5.494 1 0 IKAFLO Cc1cc(C)c(Nc2[nH+]c3cccc(N(CC4CC4)CC4CCOCC4)c3cc2C)c(C)c1 ZINC000084759352 563179870 /nfs/dbraw/zinc/17/98/70/563179870.db2.gz AMPLHRZGGAECTP-UHFFFAOYSA-N 1 2 443.635 6.855 1 0 IKAFLO Clc1ccc(NCc2c[nH+]cn2Cc2ccc(-c3ccccc3)cc2)cc1-n1cccc1 ZINC000085679216 563179989 /nfs/dbraw/zinc/17/99/89/563179989.db2.gz BPTMXGXXXOCGCS-UHFFFAOYSA-N 1 2 438.962 6.655 1 0 IKAFLO CCCC[C@@H](c1[nH]c2ccccc2[nH+]1)n1c2cc(C)c(C)cc2nc(-c2ccccc2)c1=O ZINC000095570142 563184250 /nfs/dbraw/zinc/18/42/50/563184250.db2.gz ZICGFRBZJBXTBU-DEOSSOPVSA-N 1 2 436.559 6.336 3 0 IKAFLO COc1ccccc1Cc1c(C2CCCCC2)[nH+]c2cc(C)c(Br)c(C)n21 ZINC000095570934 563184414 /nfs/dbraw/zinc/18/44/14/563184414.db2.gz VHUQRJYFVMNEDK-UHFFFAOYSA-N 1 2 427.386 6.361 3 0 IKAFLO O=C(c1ccccc1)N(CCCn1cc[nH+]c1)[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000095570958 563184430 /nfs/dbraw/zinc/18/44/30/563184430.db2.gz XRQPKOPDTHLLNO-RUZDIDTESA-N 1 2 435.531 5.082 3 0 IKAFLO COc1ccc(-c2[nH+]c3c(C)cc(Br)cn3c2Cc2ccsc2)cc1OC ZINC000095571296 563184527 /nfs/dbraw/zinc/18/45/27/563184527.db2.gz FFTZGXVEPGFNDF-UHFFFAOYSA-N 1 2 443.366 5.742 3 0 IKAFLO COc1cc(Nc2cccc3c2nc(Cc2ccc(F)cc2)n3C)ccc1-n1c[nH+]c(C)c1 ZINC000095577496 563186382 /nfs/dbraw/zinc/18/63/82/563186382.db2.gz NIPRNOLKWXJBCK-UHFFFAOYSA-N 1 2 441.510 5.550 1 0 IKAFLO COc1cc(Nc2cccc3c(C)n(-c4ccc(F)cc4F)nc32)ccc1-n1c[nH+]c(C)c1 ZINC000095578566 563186772 /nfs/dbraw/zinc/18/67/72/563186772.db2.gz YPACEIHNUIXWIN-UHFFFAOYSA-N 1 2 445.473 5.858 1 0 IKAFLO COc1cc(/C=C2\CCCN3C2=NOCC[C@@H]3c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000095595671 563191363 /nfs/dbraw/zinc/19/13/63/563191363.db2.gz BXWJGRFAZAHTIZ-XOYGFPHKSA-N 1 2 446.526 5.283 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc4oc(Nc5ccc(Cl)cc5)nc4c3)c2cc1OC ZINC000095921315 563195038 /nfs/dbraw/zinc/19/50/38/563195038.db2.gz ZCCVUGDQCAGCAA-UHFFFAOYSA-N 1 2 447.878 6.583 1 0 in-vitro IKAFLO Nc1nccn2c(C3CCC3)[nH+]c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c12 ZINC000096168076 563195221 /nfs/dbraw/zinc/19/52/21/563195221.db2.gz WXUCKCGHKWBUNS-UHFFFAOYSA-N 1 2 431.543 6.716 1 0 IKAFLO O=c1c(CNc2cc(N3CCCCC3)nc[nH+]2)cn(-c2ccccc2)c2cc(Cl)ccc12 ZINC000096170265 563195627 /nfs/dbraw/zinc/19/56/27/563195627.db2.gz WKRNYVKZKGKPCY-UHFFFAOYSA-N 1 2 445.954 5.037 1 0 IKAFLO Cc1cc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)[nH+]c2ccccc12 ZINC000096173203 563195869 /nfs/dbraw/zinc/19/58/69/563195869.db2.gz DDYKRFYMWLKLMC-UHFFFAOYSA-N 1 2 438.575 5.434 1 0 IKAFLO COc1ccc(C(=O)N2CCC3(CCC[N@@H+](c4cccc(-c5ccccc5)c4)C3)CC2)cc1 ZINC000003956187 536713856 /nfs/dbraw/zinc/71/38/56/536713856.db2.gz ZLUDUZWBSCZSID-UHFFFAOYSA-N 1 2 440.587 5.885 1 0 aggregator IKAFLO COc1ccc(C(=O)N2CCC3(CCC[N@H+](c4cccc(-c5ccccc5)c4)C3)CC2)cc1 ZINC000003956187 536713865 /nfs/dbraw/zinc/71/38/65/536713865.db2.gz ZLUDUZWBSCZSID-UHFFFAOYSA-N 1 2 440.587 5.885 1 0 aggregator IKAFLO Cc1ccc(C(=O)c2[nH]c(Nc3cc(C)cc[nH+]3)c(C(=S)Nc3ccccc3)c2N)cc1 ZINC000005597260 562944488 /nfs/dbraw/zinc/94/44/88/562944488.db2.gz VMSRCNSERRPWGW-UHFFFAOYSA-N 1 2 441.560 5.371 1 0 IKAFLO CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)NC)CC1 ZINC000013455576 562987619 /nfs/dbraw/zinc/98/76/19/562987619.db2.gz LQLJVDXDUMLJJC-QZTJIDSGSA-N 1 2 428.617 5.088 1 0 IKAFLO CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)NC)CC1 ZINC000013455576 562987620 /nfs/dbraw/zinc/98/76/20/562987620.db2.gz LQLJVDXDUMLJJC-QZTJIDSGSA-N 1 2 428.617 5.088 1 0 IKAFLO CCN1c2ncc(CSc3cc(C)[nH+]c(C)c3)cc2C(=O)Nc2c(C)cc(Cl)nc21 ZINC000013589473 562996415 /nfs/dbraw/zinc/99/64/15/562996415.db2.gz KPVDIIPFHYNTLD-UHFFFAOYSA-N 1 2 439.972 5.466 1 0 IKAFLO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC000013611718 562997827 /nfs/dbraw/zinc/99/78/27/562997827.db2.gz ZHONXOSWPFCSGQ-UHFFFAOYSA-N 1 2 448.013 5.249 1 0 IKAFLO Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(COCc2ccccc2)[nH+]1 ZINC000013685975 563001115 /nfs/dbraw/zinc/00/11/15/563001115.db2.gz YHNPYJODGMGFSJ-UHFFFAOYSA-N 1 2 445.954 5.290 1 0 IKAFLO Clc1ccc2c(c1)CCc1cccnc1C2=C1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000013738235 563002815 /nfs/dbraw/zinc/00/28/15/563002815.db2.gz OCFCLXVHANWHBW-UHFFFAOYSA-N 1 2 436.386 5.980 1 0 IKAFLO CCCN(CC1CC1)c1[nH+]c(C)nc(N(C)c2c(Cl)cc(Cl)cc2Cl)c1C ZINC000013759984 563004880 /nfs/dbraw/zinc/00/48/80/563004880.db2.gz QNGYAHPJWIACBK-UHFFFAOYSA-N 1 2 427.807 6.448 1 0 IKAFLO Clc1cc(CO[C@@H]2c3ccc(Cl)cc3S[C@@H]2Cn2cc[nH+]c2)c(Cl)s1 ZINC000013775762 563005698 /nfs/dbraw/zinc/00/56/98/563005698.db2.gz AKWKORXLGBQLAL-GDBMZVCRSA-N 1 2 431.797 6.337 1 0 IKAFLO Clc1ccc2c(c1)S[C@@H](Cn1cc[nH+]c1)[C@H]2OCc1ccc(Cl)cc1Cl ZINC000013775791 563005801 /nfs/dbraw/zinc/00/58/01/563005801.db2.gz GDQODJLFRNJZPE-OALUTQOASA-N 1 2 425.768 6.276 1 0 IKAFLO CCCCCNC(=O)Nc1c(OCCCn2cc[nH+]c2-c2ccccc2)cccc1N(C)C ZINC000013827592 563010688 /nfs/dbraw/zinc/01/06/88/563010688.db2.gz DMCPUDAATOTVFE-UHFFFAOYSA-N 1 2 449.599 5.397 1 0 IKAFLO Cc1c(-c2ccccc2)[nH+]cn1CCCOc1cccc(C)c1NC(=O)NC1CCCCC1 ZINC000013827683 563010694 /nfs/dbraw/zinc/01/06/94/563010694.db2.gz MEHWGATUJGCLAW-UHFFFAOYSA-N 1 2 446.595 6.090 1 0 IKAFLO Cc1c(-c2ccccc2)[nH+]cn1CCCOc1cccc(C)c1NC(=O)NCCC(C)C ZINC000013827688 563010780 /nfs/dbraw/zinc/01/07/80/563010780.db2.gz FJKZJUQWARPOKU-UHFFFAOYSA-N 1 2 434.584 5.804 1 0 IKAFLO COc1cc(CCc2ccc(-c3cc4ccccc4c4[nH+]ccn43)cc2)cc(OC)c1OC ZINC000013833380 563011778 /nfs/dbraw/zinc/01/17/78/563011778.db2.gz AOSZVNGZOCQVGX-UHFFFAOYSA-N 1 2 438.527 5.966 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(C(=O)c4ccc(C(C)(C)C)cc4)cc3)c2cc1OC ZINC000013859484 563012332 /nfs/dbraw/zinc/01/23/32/563012332.db2.gz IBXFZLDPLQETKT-UHFFFAOYSA-N 1 2 441.527 6.573 1 0 IKAFLO Fc1ccc([C@H](OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925522 563025771 /nfs/dbraw/zinc/02/57/71/563025771.db2.gz MZWVASMORMKPEJ-NRTJEHLZSA-N 1 2 430.567 5.263 1 0 IKAFLO c1ccc(C(OCC[NH+]2CCN(Cc3cccc4ccccc43)CC2)c2ccccc2)cc1 ZINC000022938673 563026527 /nfs/dbraw/zinc/02/65/27/563026527.db2.gz RUFMMZIUYCHXNZ-UHFFFAOYSA-N 1 2 436.599 5.764 1 0 IKAFLO COc1cccc(CCCN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022939450 563026789 /nfs/dbraw/zinc/02/67/89/563026789.db2.gz KTYYNPXOHIIOHX-UHFFFAOYSA-N 1 2 444.619 5.052 1 0 IKAFLO Cc1ccc2c(c1)N(C(=O)CN1CC[NH+](Cc3ccc(Cl)cc3)CC1)C(C)(C)C[C@H]2C ZINC000022941336 563026952 /nfs/dbraw/zinc/02/69/52/563026952.db2.gz JIQPCUQFYHDNJZ-HXUWFJFHSA-N 1 2 440.031 5.085 1 0 IKAFLO Cc1ccc2c(c1)N(C(=O)C[NH+]1CCN(Cc3ccc(Cl)cc3)CC1)C(C)(C)C[C@H]2C ZINC000022941336 563026953 /nfs/dbraw/zinc/02/69/53/563026953.db2.gz JIQPCUQFYHDNJZ-HXUWFJFHSA-N 1 2 440.031 5.085 1 0 IKAFLO O=C(Nc1ccc(Cl)cc1Cl)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000025983135 563027987 /nfs/dbraw/zinc/02/79/87/563027987.db2.gz QEAYWQUFAJAIBT-KRWDZBQOSA-N 1 2 445.133 6.487 1 0 IKAFLO O[C@@H](c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000026008423 563028394 /nfs/dbraw/zinc/02/83/94/563028394.db2.gz HBWJVZZCQWFPPG-ZWKOTPCHSA-N 1 2 432.134 5.118 1 0 IKAFLO O=C(c1ccc(Cl)cc1Cl)[C@](O)(Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000026007559 563028405 /nfs/dbraw/zinc/02/84/05/563028405.db2.gz SYEUQIGXCDKCFF-SFHVURJKSA-N 1 2 430.118 5.267 1 0 IKAFLO Cc1ccc(Br)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)[nH+]1 ZINC000026392288 563031630 /nfs/dbraw/zinc/03/16/30/563031630.db2.gz DVPKOPBOPDEECK-UHFFFAOYSA-N 1 2 434.135 5.303 1 0 IKAFLO CCCCOc1ccc(S(=O)(=O)N(Cc2c[nH+]c[nH]2)[C@@H](CC)C2CCCCC2)cc1 ZINC000026266089 563030354 /nfs/dbraw/zinc/03/03/54/563030354.db2.gz WXGGQINZKZPJNO-QHCPKHFHSA-N 1 2 433.618 5.138 1 0 IKAFLO CCCCOc1ccc(S(=O)(=O)N(Cc2c[nH]c[nH+]2)[C@@H](CC)C2CCCCC2)cc1 ZINC000026266089 563030355 /nfs/dbraw/zinc/03/03/55/563030355.db2.gz WXGGQINZKZPJNO-QHCPKHFHSA-N 1 2 433.618 5.138 1 0 IKAFLO CCCCOc1ccc(S(=O)(=O)N(Cc2c[nH+]c[nH]2)[C@H](CC)C2CCCCC2)cc1 ZINC000026266096 563030380 /nfs/dbraw/zinc/03/03/80/563030380.db2.gz WXGGQINZKZPJNO-HSZRJFAPSA-N 1 2 433.618 5.138 1 0 IKAFLO CCCCOc1ccc(S(=O)(=O)N(Cc2c[nH]c[nH+]2)[C@H](CC)C2CCCCC2)cc1 ZINC000026266096 563030381 /nfs/dbraw/zinc/03/03/81/563030381.db2.gz WXGGQINZKZPJNO-HSZRJFAPSA-N 1 2 433.618 5.138 1 0 IKAFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@H](c2cc3ccccc3o2)C1C(=O)OCC ZINC000026578484 563034042 /nfs/dbraw/zinc/03/40/42/563034042.db2.gz KVVBFLRXVLJDSU-FNBPXTNNSA-N 1 2 431.488 5.771 1 0 IKAFLO Clc1ccc([C@@H](c2c[nH]cc2-c2ccc(-c3ccccc3)cc2)n2cc[nH+]c2)c(Cl)c1 ZINC000026653355 563034724 /nfs/dbraw/zinc/03/47/24/563034724.db2.gz GGBXYXPRVQOMBV-SANMLTNESA-N 1 2 444.365 7.490 1 0 IKAFLO O=C(C[C@@H]1c2ccccc2[NH+]=C(c2ccccc2)N1c1ccccc1)NCc1ccccc1 ZINC000026996173 563038892 /nfs/dbraw/zinc/03/88/92/563038892.db2.gz KBQDXJZKAJPELX-HHHXNRCGSA-N 1 2 431.539 6.033 1 0 IKAFLO CCCn1cc[nH+]c1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC ZINC000027195440 563040497 /nfs/dbraw/zinc/04/04/97/563040497.db2.gz VEDZXURKCXUPSG-UHFFFAOYSA-N 1 2 433.777 6.170 1 0 IKAFLO Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(-n3cccc3)cc2)n2cc[nH+]c2)c(Cl)c1 ZINC000027418223 563042055 /nfs/dbraw/zinc/04/20/55/563042055.db2.gz HYRNBFYDVQCQIM-XMMPIXPASA-N 1 2 433.342 6.613 1 0 IKAFLO Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(-n3cccc3)cc2)n2cc[nH+]c2)c(Cl)c1 ZINC000027418228 563042062 /nfs/dbraw/zinc/04/20/62/563042062.db2.gz HYRNBFYDVQCQIM-DEOSSOPVSA-N 1 2 433.342 6.613 1 0 IKAFLO Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(-n3cccc3)cc2)n2cc[nH+]c2)cc1Cl ZINC000027429089 563042291 /nfs/dbraw/zinc/04/22/91/563042291.db2.gz PIOGSIGDIAIBBK-XMMPIXPASA-N 1 2 433.342 6.613 1 0 IKAFLO C=C1[NH+]=C(c2ccc(C)cc2)C(C(=O)OCC)[C@H](/C=C/c2ccccc2)C1C(=O)OCC ZINC000027523368 563042883 /nfs/dbraw/zinc/04/28/83/563042883.db2.gz HXYNKYIBOAOJHS-JXDIHYSASA-N 1 2 431.532 5.879 1 0 IKAFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@@H](/C=C/c2ccccc2OC)C1C(=O)OCC ZINC000027523206 563042933 /nfs/dbraw/zinc/04/29/33/563042933.db2.gz OGMGJMNDWROISI-HEGQRXGISA-N 1 2 447.531 5.580 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3ccc(Cc4ccc(C(C)(C)C)cc4)cc3)c2cc1OC ZINC000027993155 563048955 /nfs/dbraw/zinc/04/89/55/563048955.db2.gz HJVDLBKBEURQDC-UHFFFAOYSA-N 1 2 427.544 6.933 1 0 IKAFLO Cc1cc(NC2CCCC2)[nH+]c2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 ZINC000028380905 563054071 /nfs/dbraw/zinc/05/40/71/563054071.db2.gz WZVMFVRHNHZNKC-UHFFFAOYSA-N 1 2 443.469 5.934 1 0 IKAFLO CCCCON=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=[NH+]OCCCC)cc3)o2)cc1 ZINC000028457729 563054827 /nfs/dbraw/zinc/05/48/27/563054827.db2.gz IINMOZDCXLZXOP-UHFFFAOYSA-N 1 2 448.567 5.907 1 0 IKAFLO FC(F)(F)c1cnc(Nc2ccc(Br)cc2)nc1Nc1ccc2[nH]c[nH+]c2c1 ZINC000028523951 563056359 /nfs/dbraw/zinc/05/63/59/563056359.db2.gz LSGWJMLNFPIPPC-UHFFFAOYSA-N 1 2 449.234 5.621 1 0 IKAFLO Cn1c2ccccc2nc1N1CCC(c2[nH+]ccn2Cc2ccccc2)(c2ccccc2)CC1 ZINC000028566374 563058264 /nfs/dbraw/zinc/05/82/64/563058264.db2.gz CIOACIDRNFVYNA-UHFFFAOYSA-N 1 2 447.586 5.405 1 0 IKAFLO Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000028572595 563059655 /nfs/dbraw/zinc/05/96/55/563059655.db2.gz XACSVNWHXMKAPP-UHFFFAOYSA-N 1 2 429.347 5.814 1 0 IKAFLO Clc1ccc([C@H]2CO[C@@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)c(Cl)c1 ZINC000028769172 563064360 /nfs/dbraw/zinc/06/43/60/563064360.db2.gz NAEGNFMRFQAVML-RTBURBONSA-N 1 2 444.145 6.138 1 0 IKAFLO CNc1cc(-c2cccnc2Oc2cccc(NC(=O)c3cccc(C(C)C)c3)c2)cc[nH+]1 ZINC000028896903 563068834 /nfs/dbraw/zinc/06/88/34/563068834.db2.gz FODDHYRWTNFLQO-UHFFFAOYSA-N 1 2 438.531 6.353 1 0 IKAFLO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+](C)Cc1ccccn1 ZINC000028903841 563069159 /nfs/dbraw/zinc/06/91/59/563069159.db2.gz RVGNCNBYBUDESY-UHFFFAOYSA-N 1 2 444.970 5.279 1 0 IKAFLO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+](C)Cc1ccccn1 ZINC000028903841 563069160 /nfs/dbraw/zinc/06/91/60/563069160.db2.gz RVGNCNBYBUDESY-UHFFFAOYSA-N 1 2 444.970 5.279 1 0 IKAFLO Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1CN(C)Cc1ccccn1 ZINC000028903841 563069161 /nfs/dbraw/zinc/06/91/61/563069161.db2.gz RVGNCNBYBUDESY-UHFFFAOYSA-N 1 2 444.970 5.279 1 0 IKAFLO COc1ccc([C@H]2CC[C@@H](OCc3ccc(-n4c(C)[nH+]c5ccccc54)cc3)O2)cc1OC ZINC000029311232 563077446 /nfs/dbraw/zinc/07/74/46/563077446.db2.gz HJQFXLTXKOEJDR-SQHAQQRYSA-N 1 2 444.531 5.746 1 0 IKAFLO CCOC(=O)c1c[nH+]c2ccc(C(F)(F)F)cc2c1NCc1ccc(OC)c(Cl)c1 ZINC000029339796 563078337 /nfs/dbraw/zinc/07/83/37/563078337.db2.gz KVNCMWLMNCGOGL-UHFFFAOYSA-N 1 2 438.833 5.704 1 0 IKAFLO FC(F)(F)c1ccc(-c2nc(-c3ccc(OCCCn4cc[nH+]c4)cc3)cs2)cc1 ZINC000029473899 563080753 /nfs/dbraw/zinc/08/07/53/563080753.db2.gz YWEYMPMBJGNUPT-UHFFFAOYSA-N 1 2 429.467 6.162 1 0 IKAFLO Cc1[nH+]cccc1-n1c(NC(=O)Nc2c(C(C)C)cccc2C(C)C)nc2ccccc21 ZINC000029544942 563081629 /nfs/dbraw/zinc/08/16/29/563081629.db2.gz XIADYPWQWSGUPB-UHFFFAOYSA-N 1 2 427.552 6.620 1 0 IKAFLO NC(=O)[C@H](Cc1ccccc1)[N@H+](Cc1cc(-c2ccccc2Cl)on1)Cc1ccccc1 ZINC000029555832 563082088 /nfs/dbraw/zinc/08/20/88/563082088.db2.gz MXUNNZKDRDCYHL-DEOSSOPVSA-N 1 2 445.950 5.094 1 0 IKAFLO NC(=O)[C@H](Cc1ccccc1)[N@@H+](Cc1cc(-c2ccccc2Cl)on1)Cc1ccccc1 ZINC000029555832 563082090 /nfs/dbraw/zinc/08/20/90/563082090.db2.gz MXUNNZKDRDCYHL-DEOSSOPVSA-N 1 2 445.950 5.094 1 0 IKAFLO Cc1cccc(C(=O)Nc2ccc(C)c(Nc3[nH+]c4ccccc4n3-c3cc(N)ncn3)c2)c1 ZINC000034790843 563087194 /nfs/dbraw/zinc/08/71/94/563087194.db2.gz AYZBGELVIWCHIM-UHFFFAOYSA-N 1 2 449.518 5.010 1 0 IKAFLO CC(C)CCn1c2ccccc2[nH+]c1Cn1c2ccccc2n(Cc2ccc(O)cc2)c1=O ZINC000038142806 563096186 /nfs/dbraw/zinc/09/61/86/563096186.db2.gz CTGCMRZNXUYDJR-UHFFFAOYSA-N 1 2 440.547 5.001 1 0 IKAFLO C/C=C1\C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1Cc1nccc2c3cc(O)ccc3[nH]c21 ZINC000040428673 563103073 /nfs/dbraw/zinc/10/30/73/563103073.db2.gz UXVNNVWPICKMTE-WRLCUUPGSA-N 1 2 448.570 6.011 1 0 IKAFLO C/C=C1\C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1Cc1nccc2c3cc(O)ccc3[nH]c21 ZINC000040428673 563103074 /nfs/dbraw/zinc/10/30/74/563103074.db2.gz UXVNNVWPICKMTE-WRLCUUPGSA-N 1 2 448.570 6.011 1 0 IKAFLO CCOC(=[NH2+])CCNc1cc(OC)c(Oc2cccc(C(F)(F)F)c2)c2c(C)ccnc12 ZINC000040430439 563103479 /nfs/dbraw/zinc/10/34/79/563103479.db2.gz JBRYXBWUMOKFOG-UHFFFAOYSA-N 1 2 447.457 6.179 1 0 IKAFLO CCCCCCn1c[nH+]c2cc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc21 ZINC000040878501 563109617 /nfs/dbraw/zinc/10/96/17/563109617.db2.gz WXMHVSIFCXNEJX-UHFFFAOYSA-N 1 2 427.614 5.960 1 0 IKAFLO CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2cc[nH+]c(NCc3ccccc3)c2)[nH]1 ZINC000040934181 563112376 /nfs/dbraw/zinc/11/23/76/563112376.db2.gz ATAHCXJCJNXPJX-UHFFFAOYSA-N 1 2 440.494 6.492 1 0 IKAFLO COC(=O)c1ccc(NCc2c[nH+]cn2Cc2cccc(OC)c2)cc1-c1ccccc1 ZINC000040953378 563114301 /nfs/dbraw/zinc/11/43/01/563114301.db2.gz YXLJRVMPRODJSK-UHFFFAOYSA-N 1 2 427.504 5.006 1 0 IKAFLO COc1cc(NCc2c[nH+]c[nH]2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000040974314 563115148 /nfs/dbraw/zinc/11/51/48/563115148.db2.gz AICBJENREFPANR-UHFFFAOYSA-N 1 2 428.414 5.698 1 0 IKAFLO COc1cc(NCc2c[nH]c[nH+]2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000040974314 563115150 /nfs/dbraw/zinc/11/51/50/563115150.db2.gz AICBJENREFPANR-UHFFFAOYSA-N 1 2 428.414 5.698 1 0 IKAFLO COc1cc(-c2[nH]nc3c2CCCN3[C@@H](C)c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000043205365 563119507 /nfs/dbraw/zinc/11/95/07/563119507.db2.gz WQCGJXHVPJUJEO-KRWDZBQOSA-N 1 2 431.515 5.232 1 0 IKAFLO COc1cc(-c2[nH]nc3c2CCCN3[C@H](C)c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000043205366 563119516 /nfs/dbraw/zinc/11/95/16/563119516.db2.gz WQCGJXHVPJUJEO-QGZVFWFLSA-N 1 2 431.515 5.232 1 0 IKAFLO COc1cc2[nH+]c(N(C)C)nc(Nc3ccc(OCc4ccccc4)cc3)c2cc1OC ZINC000045228983 563125817 /nfs/dbraw/zinc/12/58/17/563125817.db2.gz SLTKDKYTHBTNDN-UHFFFAOYSA-N 1 2 430.508 5.036 1 0 IKAFLO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+]4CCC[C@@H](C)C4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049035793 563136279 /nfs/dbraw/zinc/13/62/79/563136279.db2.gz ZFZKTDQPHJCYKI-CYBMUJFWSA-N 1 2 438.925 5.954 1 0 IKAFLO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@@H+]4CCC[C@@H](C)C4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049035793 563136280 /nfs/dbraw/zinc/13/62/80/563136280.db2.gz ZFZKTDQPHJCYKI-CYBMUJFWSA-N 1 2 438.925 5.954 1 0 IKAFLO NC(=O)c1ccc2c(c1)[nH+]c(NCc1ccccc1Cl)n2[C@H]1CCCc2ccccc21 ZINC000049052963 563137024 /nfs/dbraw/zinc/13/70/24/563137024.db2.gz FAXGNZVWMOTLTH-QFIPXVFZSA-N 1 2 430.939 5.326 1 0 IKAFLO CCOc1cccc(C2=[NH+]c3cc(C(=O)NC(C)C)ccc3CN2CC2CCCCC2)c1 ZINC000049744841 563139218 /nfs/dbraw/zinc/13/92/18/563139218.db2.gz XXDNJILWVQWZAH-UHFFFAOYSA-N 1 2 433.596 5.698 1 0 IKAFLO CC(=O)Oc1sccc1NC(=O)Nc1ccc(Oc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000049808307 563140317 /nfs/dbraw/zinc/14/03/17/563140317.db2.gz FGQLJEDPZAZXQZ-UHFFFAOYSA-N 1 2 434.477 5.500 1 0 IKAFLO Cc1[nH+]c2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)Cc1cccs1 ZINC000061903561 563147939 /nfs/dbraw/zinc/14/79/39/563147939.db2.gz PLAUQYNPIIDNJA-UHFFFAOYSA-N 1 2 431.483 5.938 3 0 IKAFLO C[C@@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000061926702 563149970 /nfs/dbraw/zinc/14/99/70/563149970.db2.gz IVDRYGBXNWRUOJ-QHCPKHFHSA-N 1 2 428.454 5.246 3 0 IKAFLO C[C@@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000061926702 563149971 /nfs/dbraw/zinc/14/99/71/563149971.db2.gz IVDRYGBXNWRUOJ-QHCPKHFHSA-N 1 2 428.454 5.246 3 0 IKAFLO Cc1ccc2c(NC[C@@](O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2[nH+]1 ZINC000064527222 563154489 /nfs/dbraw/zinc/15/44/89/563154489.db2.gz REEPFLFXEYDSCM-QFIPXVFZSA-N 1 2 436.449 5.461 1 0 IKAFLO O=C1OC2(CN1c1ccccc1)CCC(c1[nH]c3ccc(OC(F)(F)F)cc3[nH+]1)CC2 ZINC000064548875 563155529 /nfs/dbraw/zinc/15/55/29/563155529.db2.gz KDNNOONPIUSODK-UHFFFAOYSA-N 1 2 431.414 5.515 1 0 IKAFLO COc1cc(-c2noc3c2CCCN3[C@H](C)c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000066103129 563158583 /nfs/dbraw/zinc/15/85/83/563158583.db2.gz YAEXPFSGRWAFJA-QGZVFWFLSA-N 1 2 432.499 5.497 1 0 IKAFLO CC[C@@H](c1ccc(F)cc1)N1CCCc2c(-c3ccc(-n4c[nH+]c(C)c4)c(OC)c3)noc21 ZINC000066103874 563158646 /nfs/dbraw/zinc/15/86/46/563158646.db2.gz QWPULDXXTPBEIB-QFIPXVFZSA-N 1 2 446.526 5.887 1 0 IKAFLO O=c1cc([C@H](c2ccc(Cl)cc2)n2cc[nH+]c2)c2ccc(Oc3ccccc3)cc2o1 ZINC000066111896 563158917 /nfs/dbraw/zinc/15/89/17/563158917.db2.gz OUIPCNQCTPOAKI-VWLOTQADSA-N 1 2 428.875 6.073 1 0 IKAFLO COc1ccc2c(c1)[C@](CCC(=O)N1[C@H](C)CC[C@@H]1C)(c1ccc(Cl)cc1)n1cc[nH+]c1-2 ZINC000072110356 563163351 /nfs/dbraw/zinc/16/33/51/563163351.db2.gz TUJSMEBQUNFBMQ-DFXHWTJYSA-N 1 2 449.982 5.497 1 0 IKAFLO CC(C)OC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1cc[nH+]c1 ZINC000072117121 563163757 /nfs/dbraw/zinc/16/37/57/563163757.db2.gz ARPLVMIRPYYABB-RUZDIDTESA-N 1 2 427.548 6.347 1 0 IKAFLO COc1ccc(-c2[nH+]c3c(C)cc(Br)cn3c2Cc2ccccc2)cc1OC ZINC000072136699 563164152 /nfs/dbraw/zinc/16/41/52/563164152.db2.gz YWBJHKUMYDFTIL-UHFFFAOYSA-N 1 2 437.337 5.680 3 0 IKAFLO COc1ccc(Cc2c(-c3ccc(F)cc3)[nH+]c3c(C)cc(Br)cn23)c(C)c1 ZINC000072136590 563164207 /nfs/dbraw/zinc/16/42/07/563164207.db2.gz UAXCYYXCJAUCMB-UHFFFAOYSA-N 1 2 439.328 6.119 3 0 IKAFLO Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072139514 563164379 /nfs/dbraw/zinc/16/43/79/563164379.db2.gz SDKMEXVHAJFAST-FCPABOFRSA-N 1 2 439.603 5.314 3 0 IKAFLO COc1ccccc1Cc1c(-c2ccc(F)cc2)[nH+]c2c(C)cc(Br)cn12 ZINC000072142490 563164781 /nfs/dbraw/zinc/16/47/81/563164781.db2.gz UMPCWZDFSNXFHF-UHFFFAOYSA-N 1 2 425.301 5.811 3 0 IKAFLO COc1cc(-c2nnc(N[C@@H](C)c3ccc(F)cc3)c(C)c2C)ccc1-n1c[nH+]c(C)c1 ZINC000072173468 563165202 /nfs/dbraw/zinc/16/52/02/563165202.db2.gz PTPDKUBOKAKOCS-SFHVURJKSA-N 1 2 431.515 5.575 1 0 IKAFLO CCc1cc(-c2ccc(-n3c[nH+]c(C)c3)c(OC)c2)nnc1N[C@@H](C)c1ccc(F)cc1 ZINC000072173360 563165216 /nfs/dbraw/zinc/16/52/16/563165216.db2.gz XRVYEBMQBZZCDH-KRWDZBQOSA-N 1 2 431.515 5.521 1 0 IKAFLO Cc1ccccc1-c1ccc2[nH+]c(N)c(C[C@@H](C)C(=O)N[C@@H]3CCOC(C)(C)C3)cc2c1 ZINC000072178837 563166389 /nfs/dbraw/zinc/16/63/89/563166389.db2.gz QMSHBBGXSXAGOO-XMSQKQJNSA-N 1 2 431.580 5.045 1 0 in-vitro IKAFLO FC(F)(F)Oc1ccc(-c2nc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)co2)cc1 ZINC000072184533 563167782 /nfs/dbraw/zinc/16/77/82/563167782.db2.gz DMNXCWREGXDJRB-UHFFFAOYSA-N 1 2 437.849 5.216 1 0 IKAFLO COc1nc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)ccc1-n1c[nH+]c(C)c1 ZINC000072316199 563168378 /nfs/dbraw/zinc/16/83/78/563168378.db2.gz ZQYDYFCAHHBFKE-UHFFFAOYSA-N 1 2 428.471 5.021 1 0 IKAFLO COc1cc(Nc2ncc([C@@H](O)c3ccc(Cl)cc3)s2)ccc1-n1c[nH+]c(C)c1 ZINC000073159178 563169326 /nfs/dbraw/zinc/16/93/26/563169326.db2.gz DTFPEQAXIJBRKS-FQEVSTJZSA-N 1 2 426.929 5.125 1 0 IKAFLO Nc1nc2c(ccn2Cc2ccc(Cl)cc2)c(Nc2cccc(Br)c2)[nH+]1 ZINC000073312775 563172359 /nfs/dbraw/zinc/17/23/59/563172359.db2.gz BHRRBEIGFFNGJI-UHFFFAOYSA-N 1 2 428.721 5.221 1 0 IKAFLO Clc1cc2nc([C@@H]3CCCN3c3cc(NCC4CCCCC4)[nH+]cn3)[nH]c2cc1Cl ZINC000082154547 563173492 /nfs/dbraw/zinc/17/34/92/563173492.db2.gz KIMWEHQKUGORFU-IBGZPJMESA-N 1 2 445.398 5.993 1 0 IKAFLO Clc1cc2nc([C@@H]3CCCN3c3cc(NCC4CCCCC4)nc[nH+]3)[nH]c2cc1Cl ZINC000082154547 563173493 /nfs/dbraw/zinc/17/34/93/563173493.db2.gz KIMWEHQKUGORFU-IBGZPJMESA-N 1 2 445.398 5.993 1 0 IKAFLO CCCNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccccc2[nH+]1 ZINC000084618976 563174635 /nfs/dbraw/zinc/17/46/35/563174635.db2.gz QUOBQDSHCNHHRB-UHFFFAOYSA-N 1 2 429.499 5.455 1 0 IKAFLO COc1ccc(Cn2c3ccccc3[nH+]c2N[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000084635330 563174794 /nfs/dbraw/zinc/17/47/94/563174794.db2.gz ZNQYFMWXTMEFJZ-KRWDZBQOSA-N 1 2 448.954 5.494 1 0 IKAFLO Cc1c2ccccc2sc1C(=O)[C@@H]1C[C@H]1C[NH+](Cc1ccccn1)Cc1ccccn1 ZINC000084742346 563179302 /nfs/dbraw/zinc/17/93/02/563179302.db2.gz YOQBFLWTYSXESO-WMZHIEFXSA-N 1 2 427.573 5.521 1 0 IKAFLO CC(C)c1cc(-c2cc3ccccc3nc2N2CCCC2)cc2[nH+]c(N3CCCC3)ccc21 ZINC000095554826 563181170 /nfs/dbraw/zinc/18/11/70/563181170.db2.gz DSHIYQICPHMNAF-UHFFFAOYSA-N 1 2 436.603 6.774 1 0 IKAFLO Cc1cc(Br)cn2c(Cc3cccc(Cl)c3)c(-c3cccc(Cl)c3)[nH+]c12 ZINC000095564996 563183156 /nfs/dbraw/zinc/18/31/56/563183156.db2.gz HCXVPVAXJMJRRE-UHFFFAOYSA-N 1 2 446.175 6.970 3 0 IKAFLO O=c1c(-c2cccs2)nc2ccccc2n1[C@H](c1[nH]c2ccccc2[nH+]1)c1ccccn1 ZINC000095567989 563183820 /nfs/dbraw/zinc/18/38/20/563183820.db2.gz MNXJGFDFCWMODE-QHCPKHFHSA-N 1 2 435.512 5.034 3 0 IKAFLO Cc1cc2[nH+]c(C(C)(C)C)c(Cc3ccccc3C(F)(F)F)n2c(C)c1Br ZINC000095568640 563183932 /nfs/dbraw/zinc/18/39/32/563183932.db2.gz HIZHNCFAIIKGAI-UHFFFAOYSA-N 1 2 439.319 6.621 3 0 IKAFLO COc1ccc(Cc2c(-c3ccccc3)[nH+]c3cc(C)c(Br)c(C)n32)c(C)c1 ZINC000095570693 563184333 /nfs/dbraw/zinc/18/43/33/563184333.db2.gz XTYPXAUTTWBVOA-UHFFFAOYSA-N 1 2 435.365 6.288 3 0 IKAFLO COc1cccc(-c2nc3c(cccc3Nc3ccc(-n4c[nH+]c(C)c4)c(OC)c3)n2C)c1 ZINC000095571794 563184600 /nfs/dbraw/zinc/18/46/00/563184600.db2.gz FYBNSZAREGIYIO-UHFFFAOYSA-N 1 2 439.519 5.495 1 0 IKAFLO COc1cc(-c2cn(C(F)(F)c3ccc(C(F)(F)F)cc3)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000095571954 563184653 /nfs/dbraw/zinc/18/46/53/563184653.db2.gz WNMIAQGCACSTHG-UHFFFAOYSA-N 1 2 449.383 5.064 1 0 IKAFLO [NH2+]=C1Sc2cc(-c3ccc4c(C(=O)C(F)(F)F)c[nH]c4c3)ccc2C2=NCCCN12 ZINC000095572016 563184657 /nfs/dbraw/zinc/18/46/57/563184657.db2.gz PLUQYCQKJLZEPT-UHFFFAOYSA-N 1 2 428.439 5.073 1 0 IKAFLO COc1cc2c(cc1OC)-c1c(-c3cncc(-n4ccc5ccccc54)c3)[nH+]c(C)n1CC2 ZINC000095575819 563185803 /nfs/dbraw/zinc/18/58/03/563185803.db2.gz UIPMLUMXEACAEX-UHFFFAOYSA-N 1 2 436.515 5.438 1 0 IKAFLO COc1cc(Nc2nccc3c2nc(-c2ccc(F)cc2)n3C)ccc1-n1c[nH+]c(C)c1 ZINC000095579629 563187043 /nfs/dbraw/zinc/18/70/43/563187043.db2.gz GDJPLNOSDZIINK-UHFFFAOYSA-N 1 2 428.471 5.021 1 0 IKAFLO COc1cc(/C=C2\CCCN3C2=NOCC[C@@H]3c2cccc(F)c2)ccc1-n1c[nH+]c(C)c1 ZINC000095597913 563191970 /nfs/dbraw/zinc/19/19/70/563191970.db2.gz VOAVANGLSKPOPN-FJWZAKCXSA-N 1 2 446.526 5.283 1 0 IKAFLO Nc1nccn2c(C3CCC3)[nH+]c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c12 ZINC000096168225 563195217 /nfs/dbraw/zinc/19/52/17/563195217.db2.gz SRLYFJSQSIJQQH-UHFFFAOYSA-N 1 2 440.425 5.937 1 0 IKAFLO CSc1nc(Nc2ccc3nc(C)cc(C)c3c2)nc(Nc2cc[nH+]c3ccccc23)n1 ZINC000098081940 563200456 /nfs/dbraw/zinc/20/04/56/563200456.db2.gz PSCVKOQPIDCCCY-UHFFFAOYSA-N 1 2 439.548 5.794 1 0 IKAFLO Cc1c[nH+]c([C@H](C)[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c(O)c1 ZINC000095911490 560058037 /nfs/dbraw/zinc/05/80/37/560058037.db2.gz NMHCTUTYNGBHMC-XFRUXBRESA-N 1 2 425.613 5.398 1 0 biogenic,in-vitro IKAFLO COc1cccc(COc2cc(N)[nH+]c3[nH]c(-c4ccc(F)cc4)c(-c4ccncc4)c32)c1 ZINC000003815677 562938586 /nfs/dbraw/zinc/93/85/86/562938586.db2.gz GGUFDSKGQOZGOY-UHFFFAOYSA-N 1 2 440.478 5.601 1 0 IKAFLO O=C(NCc1ccc(Cc2c[nH]c[nH+]2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013439947 562986245 /nfs/dbraw/zinc/98/62/45/562986245.db2.gz ZDXOSPCICVVJEN-UHFFFAOYSA-N 1 2 442.363 5.360 1 0 IKAFLO O=C(NCc1ccc(Cc2c[nH+]c[nH]2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013439947 562986246 /nfs/dbraw/zinc/98/62/46/562986246.db2.gz ZDXOSPCICVVJEN-UHFFFAOYSA-N 1 2 442.363 5.360 1 0 IKAFLO CC(=O)n1c2ccccc2c2c1C[N@@H+](CCCC[C@@]13CCCc4cccc(c41)NC3=O)CC2 ZINC000013473731 562988477 /nfs/dbraw/zinc/98/84/77/562988477.db2.gz FNLVSYVCTGWSJL-MUUNZHRXSA-N 1 2 441.575 5.056 1 0 IKAFLO CC(=O)n1c2ccccc2c2c1C[N@H+](CCCC[C@@]13CCCc4cccc(c41)NC3=O)CC2 ZINC000013473731 562988478 /nfs/dbraw/zinc/98/84/78/562988478.db2.gz FNLVSYVCTGWSJL-MUUNZHRXSA-N 1 2 441.575 5.056 1 0 IKAFLO FC(F)(Cc1c[nH]c2ccc(-n3cnnc3)cc12)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000013557082 562993293 /nfs/dbraw/zinc/99/32/93/562993293.db2.gz ODVAQIGJSXTYDY-UHFFFAOYSA-N 1 2 449.549 5.271 1 0 IKAFLO CCN(Cc1ccc(C)cc1)c1cc(C)nc2c(-c3c[nH+]c(N(C)C)cc3C)c(C)nn21 ZINC000013583166 562994846 /nfs/dbraw/zinc/99/48/46/562994846.db2.gz MTPKCVBUMRAXKG-UHFFFAOYSA-N 1 2 428.584 5.117 1 0 IKAFLO Cc1nn2c(nc(C)cc2N(Cc2ccccc2)C(C)C)c1-c1c[nH+]c(N(C)C)cc1C ZINC000013583175 562994864 /nfs/dbraw/zinc/99/48/64/562994864.db2.gz NZGVRMGNONAOPJ-UHFFFAOYSA-N 1 2 428.584 5.198 1 0 IKAFLO CCN(Cc1ccccc1C)c1cc(C)nc2c(-c3c[nH+]c(N(C)C)cc3C)c(C)nn21 ZINC000013583161 562994882 /nfs/dbraw/zinc/99/48/82/562994882.db2.gz JJZVSSNHWVZBEO-UHFFFAOYSA-N 1 2 428.584 5.117 1 0 IKAFLO Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)[nH+]1 ZINC000013610311 562997762 /nfs/dbraw/zinc/99/77/62/562997762.db2.gz HWWJCYIYBBEGDP-UHFFFAOYSA-N 1 2 425.536 5.261 1 0 IKAFLO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000013611691 562997833 /nfs/dbraw/zinc/99/78/33/562997833.db2.gz XZVDXFRDHYGZQO-UHFFFAOYSA-N 1 2 448.013 5.180 1 0 IKAFLO CCCN(CC1CC1)c1[nH+]c(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1CC ZINC000013759979 563004913 /nfs/dbraw/zinc/00/49/13/563004913.db2.gz ZIANMVTWRBZITE-UHFFFAOYSA-N 1 2 427.807 6.678 1 0 IKAFLO FC(F)(F)c1ccc2c(c1)S[C@H](Cn1cc[nH+]c1)[C@@H]2OCc1ccsc1Cl ZINC000013775773 563005722 /nfs/dbraw/zinc/00/57/22/563005722.db2.gz AESMODPOSZQVIJ-HZPDHXFCSA-N 1 2 430.904 6.049 1 0 IKAFLO Clc1ccc2c(c1)[C@@H](OCc1c(Cl)cccc1Cl)[C@@H](Cn1cc[nH+]c1)S2 ZINC000013775788 563005759 /nfs/dbraw/zinc/00/57/59/563005759.db2.gz ZAALNFSOYYCKNV-RTBURBONSA-N 1 2 425.768 6.276 1 0 IKAFLO Clc1ccc(CO[C@@H]2c3c(cc(Cl)cc3Cl)S[C@H]2Cn2cc[nH+]c2)cc1 ZINC000013775799 563005778 /nfs/dbraw/zinc/00/57/78/563005778.db2.gz HLISQAYPWNMIHC-HKUYNNGSSA-N 1 2 425.768 6.276 1 0 IKAFLO Clc1ccc2c(c1)[C@H](OCc1c(Cl)cccc1Cl)[C@@H](Cn1cc[nH+]c1)S2 ZINC000013775786 563005826 /nfs/dbraw/zinc/00/58/26/563005826.db2.gz ZAALNFSOYYCKNV-MOPGFXCFSA-N 1 2 425.768 6.276 1 0 IKAFLO [NH2+]=C(Nc1ccc(Sc2ccccc2)cc1)Nc1ccc(Sc2ccccc2)cc1 ZINC000013780931 563006537 /nfs/dbraw/zinc/00/65/37/563006537.db2.gz LJWSGBDUJMBMKJ-UHFFFAOYSA-N 1 2 427.598 7.448 1 0 IKAFLO Cc1c(-c2ccccc2)[nH+]cn1CCCOc1cccc(C)c1NC(=O)NCC(C)(C)C ZINC000013827691 563010797 /nfs/dbraw/zinc/01/07/97/563010797.db2.gz LUJVSMMQYXBOJH-UHFFFAOYSA-N 1 2 434.584 5.804 1 0 IKAFLO CCCCCNC(=O)Nc1c(C)cccc1OCCCn1c[nH+]c(-c2ccccc2)c1CC ZINC000013827776 563010802 /nfs/dbraw/zinc/01/08/02/563010802.db2.gz KQCWGLFEWJJSCA-UHFFFAOYSA-N 1 2 448.611 6.202 1 0 IKAFLO CCCCCNC(=O)Nc1c(C)cccc1OCCCn1c[nH+]c2c1CCc1ccccc1-2 ZINC000013827812 563010815 /nfs/dbraw/zinc/01/08/15/563010815.db2.gz YUJOAPXZBKASNM-UHFFFAOYSA-N 1 2 446.595 5.738 1 0 IKAFLO CCCCc1[nH+]c2cc(OC)ccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828027 563010823 /nfs/dbraw/zinc/01/08/23/563010823.db2.gz HBSLDOJMYCLNOV-UHFFFAOYSA-N 1 2 438.535 5.283 1 0 IKAFLO CCc1c(-c2ccccc2)[nH+]cn1CCCOc1cccc(C)c1NC(=O)NCC(C)(C)C ZINC000013827842 563010830 /nfs/dbraw/zinc/01/08/30/563010830.db2.gz LLSUZIXNIHAHDI-UHFFFAOYSA-N 1 2 448.611 6.058 1 0 IKAFLO FC(F)(F)c1cc(Nc2[nH]c3cc(Oc4ccnc5[nH]ccc54)ccc3[nH+]2)ccc1Cl ZINC000014965235 563016381 /nfs/dbraw/zinc/01/63/81/563016381.db2.gz PKKYJYFGTICOFP-UHFFFAOYSA-N 1 2 443.816 6.647 1 0 IKAFLO CCCCc1[nH+]c2ccccc2n1Cc1cc(Br)c(O)c(Br)c1 ZINC000026271806 563030436 /nfs/dbraw/zinc/03/04/36/563030436.db2.gz DWLRJPFONCNEGY-UHFFFAOYSA-N 1 2 438.163 5.658 1 0 IKAFLO Cc1ccc(S[C@@H](C)C=CN[NH+]=C2NN=C(c3ccccc3)[C@H](c3ccccc3)N2)cc1 ZINC000017210773 563021668 /nfs/dbraw/zinc/02/16/68/563021668.db2.gz XVFLOSRILJBFTA-BZYKCZEQSA-N 1 2 441.604 5.188 1 0 IKAFLO O[C@H](c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000026008429 563028364 /nfs/dbraw/zinc/02/83/64/563028364.db2.gz HBWJVZZCQWFPPG-QZTJIDSGSA-N 1 2 432.134 5.118 1 0 IKAFLO Fc1ccc(/C=C/C[NH+]2CCN(CCO[C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925632 563025937 /nfs/dbraw/zinc/02/59/37/563025937.db2.gz WFJRJRXEODOZJG-ZVCCROTOSA-N 1 2 448.557 5.402 1 0 IKAFLO O=C(Nc1ccc(Cl)cc1Cl)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000025983143 563027966 /nfs/dbraw/zinc/02/79/66/563027966.db2.gz QEAYWQUFAJAIBT-QGZVFWFLSA-N 1 2 445.133 6.487 1 0 IKAFLO S=C(Nc1ccc(Cl)cc1)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000025984506 563028055 /nfs/dbraw/zinc/02/80/55/563028055.db2.gz IOUBYYSILSOUNU-QGZVFWFLSA-N 1 2 426.756 5.998 1 0 IKAFLO S=C(Nc1ccc(Cl)cc1)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000025984499 563028070 /nfs/dbraw/zinc/02/80/70/563028070.db2.gz IOUBYYSILSOUNU-KRWDZBQOSA-N 1 2 426.756 5.998 1 0 IKAFLO O[C@H](c1ccc(Cl)cc1Cl)[C@](O)(Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000026008440 563028402 /nfs/dbraw/zinc/02/84/02/563028402.db2.gz HBWJVZZCQWFPPG-MSOLQXFVSA-N 1 2 432.134 5.118 1 0 IKAFLO CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1Cn1cc[nH+]c1)c1ccccc1 ZINC000026288927 563030902 /nfs/dbraw/zinc/03/09/02/563030902.db2.gz KJZOIEGZNOPHDK-VWLOTQADSA-N 1 2 446.554 6.028 1 0 IKAFLO COc1cc(Cl)c([C@H]2[NH2+]CCN[C@H]2c2c(Cl)cc(OC)cc2Cl)c(Cl)c1 ZINC000026393543 563031706 /nfs/dbraw/zinc/03/17/06/563031706.db2.gz BCOMELIZJXRMLZ-HDICACEKSA-N 1 2 436.166 5.293 1 0 IKAFLO COc1cc(Cl)c([C@H]2NCC[NH2+][C@H]2c2c(Cl)cc(OC)cc2Cl)c(Cl)c1 ZINC000026393543 563031708 /nfs/dbraw/zinc/03/17/08/563031708.db2.gz BCOMELIZJXRMLZ-HDICACEKSA-N 1 2 436.166 5.293 1 0 IKAFLO Cc1ccc(N[C@H](C(=O)CCc2c[nH+]c[nH]2)c2ccccc2Br)c(Cl)c1 ZINC000026485214 563032326 /nfs/dbraw/zinc/03/23/26/563032326.db2.gz CKEWBVKRLQFWPT-FQEVSTJZSA-N 1 2 432.749 5.489 1 0 IKAFLO Cc1ccc(N[C@H](C(=O)CCc2c[nH]c[nH+]2)c2ccccc2Br)c(Cl)c1 ZINC000026485214 563032327 /nfs/dbraw/zinc/03/23/27/563032327.db2.gz CKEWBVKRLQFWPT-FQEVSTJZSA-N 1 2 432.749 5.489 1 0 IKAFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@H](/C=C/c2ccc(N)cc2)C1C(=O)OCC ZINC000026577926 563033934 /nfs/dbraw/zinc/03/39/34/563033934.db2.gz FFUDKHMUBGWKAN-RYDISJSYSA-N 1 2 432.520 5.153 1 0 IKAFLO COc1ccc(-c2cc(CCC(C)C)[nH+]c3cc(OC)c(OC)c(OC)c32)cc1OC ZINC000026667477 563035225 /nfs/dbraw/zinc/03/52/25/563035225.db2.gz SYRKEPOKMUBGKH-UHFFFAOYSA-N 1 2 425.525 5.533 1 0 IKAFLO O=C(C[C@@H]1c2ccccc2[NH+]=C(c2ccccc2)N1c1ccccc1)OCc1ccccc1 ZINC000027079160 563039066 /nfs/dbraw/zinc/03/90/66/563039066.db2.gz HCRUNIBMFJWVBU-HHHXNRCGSA-N 1 2 432.523 6.460 1 0 IKAFLO O=C(C[C@H]1c2ccccc2[NH+]=C(c2ccccc2)N1c1ccccc1)OCc1ccccc1 ZINC000027079153 563039072 /nfs/dbraw/zinc/03/90/72/563039072.db2.gz HCRUNIBMFJWVBU-MHZLTWQESA-N 1 2 432.523 6.460 1 0 IKAFLO Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)c(Cl)c2)n2cc[nH+]c2)c(Cl)c1 ZINC000027425316 563042218 /nfs/dbraw/zinc/04/22/18/563042218.db2.gz ZOYMPLYCEMBDBQ-HXUWFJFHSA-N 1 2 437.157 7.130 1 0 IKAFLO O=C(CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccs1 ZINC000027713074 563045625 /nfs/dbraw/zinc/04/56/25/563045625.db2.gz MXSXCUIOSVDDRF-UHFFFAOYSA-N 1 2 436.527 5.991 1 0 IKAFLO O=C(CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccs1 ZINC000027713074 563045626 /nfs/dbraw/zinc/04/56/26/563045626.db2.gz MXSXCUIOSVDDRF-UHFFFAOYSA-N 1 2 436.527 5.991 1 0 IKAFLO O[C@@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccs1 ZINC000027712589 563045654 /nfs/dbraw/zinc/04/56/54/563045654.db2.gz RQOMKYBFUBMKFV-DEOSSOPVSA-N 1 2 438.543 5.842 1 0 IKAFLO O[C@@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccs1 ZINC000027712589 563045656 /nfs/dbraw/zinc/04/56/56/563045656.db2.gz RQOMKYBFUBMKFV-DEOSSOPVSA-N 1 2 438.543 5.842 1 0 IKAFLO c1cn(CC(Sc2ccccc2)(Sc2ccccc2)c2ccc3ccccc3c2)c[nH+]1 ZINC000027769958 563047219 /nfs/dbraw/zinc/04/72/19/563047219.db2.gz USHTVEVFQJDKOE-UHFFFAOYSA-N 1 2 438.621 7.474 1 0 IKAFLO Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000027903827 563048457 /nfs/dbraw/zinc/04/84/57/563048457.db2.gz QDJRJLBKIWFUGA-UHFFFAOYSA-N 1 2 432.976 5.926 1 0 IKAFLO Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CC[N@H+](Cc1ccccc1Cl)C2 ZINC000027903827 563048459 /nfs/dbraw/zinc/04/84/59/563048459.db2.gz QDJRJLBKIWFUGA-UHFFFAOYSA-N 1 2 432.976 5.926 1 0 IKAFLO Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000027978190 563048466 /nfs/dbraw/zinc/04/84/66/563048466.db2.gz DORJLTWBROMMQF-UHFFFAOYSA-N 1 2 432.976 5.926 1 0 IKAFLO Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000027978190 563048468 /nfs/dbraw/zinc/04/84/68/563048468.db2.gz DORJLTWBROMMQF-UHFFFAOYSA-N 1 2 432.976 5.926 1 0 IKAFLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028229650 563051839 /nfs/dbraw/zinc/05/18/39/563051839.db2.gz APKKAKTYKFIRSQ-UHFFFAOYSA-N 1 2 427.895 5.425 1 0 IKAFLO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 ZINC000028377662 563053974 /nfs/dbraw/zinc/05/39/74/563053974.db2.gz CVKDPCIOJHKOEZ-UHFFFAOYSA-N 1 2 443.469 5.570 1 0 IKAFLO Cn1cc(-c2cccc3ccccc32)c([C@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)c1 ZINC000028466915 563055392 /nfs/dbraw/zinc/05/53/92/563055392.db2.gz CHNKNGSGNRZHCK-VWLOTQADSA-N 1 2 432.354 6.986 1 0 IKAFLO CCn1cc(-c2cccc3ccccc32)c([C@@H](c2ccc(Cl)cc2Cl)n2cc[nH+]c2)c1 ZINC000028468897 563055457 /nfs/dbraw/zinc/05/54/57/563055457.db2.gz OGUXNYIWVMPLKT-AREMUKBSSA-N 1 2 446.381 7.469 1 0 IKAFLO FC(F)(F)c1ccc(Oc2nc(Nc3ccc4[nH]c[nH+]c4c3)ncc2C(F)(F)F)cc1 ZINC000028520254 563055812 /nfs/dbraw/zinc/05/58/12/563055812.db2.gz PDMPDEDJCANOBT-UHFFFAOYSA-N 1 2 439.319 5.926 1 0 IKAFLO Cn1c[nH+]cc1[C@@](O)(c1ccccc1)c1ccc2ccn(-c3cccc4ccccc43)c2c1 ZINC000028523308 563056178 /nfs/dbraw/zinc/05/61/78/563056178.db2.gz ISMWSFRHVODFBY-GDLZYMKVSA-N 1 2 429.523 5.801 1 0 IKAFLO O=C(N[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)c1ccc(-c2cccs2)cc1 ZINC000028529639 563057360 /nfs/dbraw/zinc/05/73/60/563057360.db2.gz OLTXDAOJPSBTJD-SFHVURJKSA-N 1 2 431.388 5.726 1 0 IKAFLO O=C(N[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)c1ccc(-c2cccs2)cc1 ZINC000028529639 563057363 /nfs/dbraw/zinc/05/73/63/563057363.db2.gz OLTXDAOJPSBTJD-SFHVURJKSA-N 1 2 431.388 5.726 1 0 IKAFLO CCC[C@@H](O)c1c[nH+]c([C@H](C)CC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569222 563058720 /nfs/dbraw/zinc/05/87/20/563058720.db2.gz YPDHBJDSZAAURZ-MLGOLLRUSA-N 1 2 438.412 5.532 1 0 IKAFLO CC[C@@H](C)c1[nH+]cc([C@H](O)C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569297 563058837 /nfs/dbraw/zinc/05/88/37/563058837.db2.gz KIYFWZZYGGXOPQ-MLGOLLRUSA-N 1 2 438.412 5.387 1 0 IKAFLO CCN[C@@H](c1c(Cl)cc(O)cc1Cl)[C@@H]([NH2+]CC)c1c(Cl)cc(O)cc1Cl ZINC000028769569 563064294 /nfs/dbraw/zinc/06/42/94/563064294.db2.gz UZLSQSZSEHSGNT-ROUUACIJSA-N 1 2 438.182 5.713 1 0 IKAFLO CCOC(=O)C[C@H](CC)CCCCCn1c(C)[nH+]c(-c2ccccc2)c1-c1ccccc1 ZINC000028821676 563065483 /nfs/dbraw/zinc/06/54/83/563065483.db2.gz OKDHVEOGLQXMFU-HSZRJFAPSA-N 1 2 432.608 7.065 1 0 IKAFLO Cc1ccc2c(NC[C@@](O)(C[C@@]3(C)CCCc4ccccc43)C(F)(F)F)cccc2[nH+]1 ZINC000028826273 563066486 /nfs/dbraw/zinc/06/64/86/563066486.db2.gz DHLZHFIJSYWCJK-RPWUZVMVSA-N 1 2 428.498 5.933 1 0 IKAFLO Cc1ccc2c(NC[C@](O)(C[C@@]3(C)CCCc4ccccc43)C(F)(F)F)cccc2[nH+]1 ZINC000028826274 563066500 /nfs/dbraw/zinc/06/65/00/563066500.db2.gz DHLZHFIJSYWCJK-DNQXCXABSA-N 1 2 428.498 5.933 1 0 IKAFLO Nc1nccn2c(C3CCC3)[nH+]c(-c3cccc(OCc4ccc(OC(F)F)cc4)c3)c12 ZINC000028885391 563068052 /nfs/dbraw/zinc/06/80/52/563068052.db2.gz NFJDCYPBDMRCQR-UHFFFAOYSA-N 1 2 436.462 5.426 1 0 IKAFLO CCc1[nH+]c(C)nc(N[C@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)c1Br ZINC000028887727 563068228 /nfs/dbraw/zinc/06/82/28/563068228.db2.gz KSBXLJJMFBWSGZ-LJQANCHMSA-N 1 2 444.348 6.605 1 0 IKAFLO CCCCC1=[NH+]C2(CCCC2)CC(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000029393821 563079064 /nfs/dbraw/zinc/07/90/64/563079064.db2.gz QQXUWSWJFJDVQE-UHFFFAOYSA-N 1 2 442.567 5.168 1 0 IKAFLO COc1ccc2c(c1OC)[C@@H](Cc1ccccc1)[N@H+]1CCc3cc(OC)c(OC)cc3[C@@H]1C2 ZINC000033903249 563084982 /nfs/dbraw/zinc/08/49/82/563084982.db2.gz SXTAUSJLLADWLQ-XZOQPEGZSA-N 1 2 445.559 5.160 1 0 IKAFLO COc1ccc2c(c1OC)[C@@H](Cc1ccccc1)[N@@H+]1CCc3cc(OC)c(OC)cc3[C@@H]1C2 ZINC000033903249 563084983 /nfs/dbraw/zinc/08/49/83/563084983.db2.gz SXTAUSJLLADWLQ-XZOQPEGZSA-N 1 2 445.559 5.160 1 0 IKAFLO C[N@@H+]1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@H](C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000034047238 563085348 /nfs/dbraw/zinc/08/53/48/563085348.db2.gz FEIRROBBFMUCJM-HNAYVOBHSA-N 1 2 433.162 5.322 1 0 IKAFLO C[N@H+]1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@H](C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000034047238 563085349 /nfs/dbraw/zinc/08/53/49/563085349.db2.gz FEIRROBBFMUCJM-HNAYVOBHSA-N 1 2 433.162 5.322 1 0 IKAFLO CCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)[nH+]2)cc1 ZINC000035997901 563090717 /nfs/dbraw/zinc/09/07/17/563090717.db2.gz HPSRCEODDNJXQV-UHFFFAOYSA-N 1 2 431.967 6.680 1 0 IKAFLO CC(C)n1cc(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c2c1nc[nH+]c2N ZINC000038429336 563097755 /nfs/dbraw/zinc/09/77/55/563097755.db2.gz BAABCALYOOIAEM-UHFFFAOYSA-N 1 2 448.914 5.123 1 0 IKAFLO O=C(Cc1ccc(Cl)cc1)S[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000039233089 563098903 /nfs/dbraw/zinc/09/89/03/563098903.db2.gz QDHCCHDFFBBHHY-GOSISDBHSA-N 1 2 425.768 6.087 1 0 IKAFLO Cc1ccccc1[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NC2CCCCCC2)CC1 ZINC000040423650 563102668 /nfs/dbraw/zinc/10/26/68/563102668.db2.gz AMOQRGVXFGDBST-VWLOTQADSA-N 1 2 440.031 5.788 1 0 IKAFLO Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3Cc2ccccc2)c(C)c1C ZINC000040872710 563109018 /nfs/dbraw/zinc/10/90/18/563109018.db2.gz IRGZMWLWLHSDHZ-UHFFFAOYSA-N 1 2 433.577 5.428 1 0 IKAFLO CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2cc[nH+]c(NCc3cccs3)c2)[nH]1 ZINC000040934334 563112474 /nfs/dbraw/zinc/11/24/74/563112474.db2.gz YATJLVWJXJHVEQ-UHFFFAOYSA-N 1 2 446.523 6.553 1 0 IKAFLO COc1cc2[nH+]ccc(Oc3cc(C)c(Cl)cc3C(=O)c3ccccc3)c2cc1OC ZINC000040937237 563112906 /nfs/dbraw/zinc/11/29/06/563112906.db2.gz XNQHVHGQJCBTOW-UHFFFAOYSA-N 1 2 433.891 6.237 1 0 IKAFLO COC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccc(OC)cc2)cc1-c1ccccc1 ZINC000040938125 563113152 /nfs/dbraw/zinc/11/31/52/563113152.db2.gz OKJNGMVJSQOGQQ-UHFFFAOYSA-N 1 2 427.504 5.006 1 0 IKAFLO CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH+]c(N[C@H]3CCCc4ccccc43)c2)[nH]1 ZINC000040957076 563114850 /nfs/dbraw/zinc/11/48/50/563114850.db2.gz VRFQIBYIEAYTBZ-NRFANRHFSA-N 1 2 430.552 6.489 1 0 IKAFLO CC(C)(C)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2[nH+]1 ZINC000043019986 563117123 /nfs/dbraw/zinc/11/71/23/563117123.db2.gz YQQGXMBZQVEFAU-UHFFFAOYSA-N 1 2 437.465 6.570 1 0 IKAFLO Cc1cc2[nH]c(-c3ccc(OCC(=O)NCc4ccc(C(C)(C)C)cc4)cc3)[nH+]c2cc1C ZINC000045188968 563123089 /nfs/dbraw/zinc/12/30/89/563123089.db2.gz GDDSRPIMVTXPID-UHFFFAOYSA-N 1 2 441.575 5.839 1 0 IKAFLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1 ZINC000045189575 563123386 /nfs/dbraw/zinc/12/33/86/563123386.db2.gz BHKGUTXPVFYGEK-UHFFFAOYSA-N 1 2 425.467 5.330 1 0 IKAFLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1 ZINC000045189575 563123387 /nfs/dbraw/zinc/12/33/87/563123387.db2.gz BHKGUTXPVFYGEK-UHFFFAOYSA-N 1 2 425.467 5.330 1 0 IKAFLO CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2cc(C)ccc2[nH+]1 ZINC000045258597 563127479 /nfs/dbraw/zinc/12/74/79/563127479.db2.gz RGPXAJSDCKQSRK-UHFFFAOYSA-N 1 2 431.927 5.498 1 0 IKAFLO CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1[nH+]ccn1Cc1ccccc1 ZINC000045289363 563128667 /nfs/dbraw/zinc/12/86/67/563128667.db2.gz MZXOJLUENNUYRY-LJQANCHMSA-N 1 2 438.018 5.102 1 0 IKAFLO COc1ccc(-c2ccccc2)c2cc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cc3)sc21 ZINC000045358403 563132871 /nfs/dbraw/zinc/13/28/71/563132871.db2.gz JVEFKELMOQHINV-UHFFFAOYSA-N 1 2 439.540 6.074 1 0 IKAFLO CCC(C)(C)Cc1c[nH+]c(CCc2ccc(-c3ccccc3OCc3nc(N)n[nH]3)cc2)[nH]1 ZINC000049052269 563136974 /nfs/dbraw/zinc/13/69/74/563136974.db2.gz ORZHWUMVNDRVKD-UHFFFAOYSA-N 1 2 444.583 5.120 1 0 IKAFLO Cc1oc(-c2cccc3ccccc32)nc1C[NH+]1CCN(c2ncnc3ccccc32)CC1 ZINC000059418170 563146545 /nfs/dbraw/zinc/14/65/45/563146545.db2.gz LQILTFSJNUBKIM-UHFFFAOYSA-N 1 2 435.531 5.069 3 0 IKAFLO C[C@@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000061895992 563147245 /nfs/dbraw/zinc/14/72/45/563147245.db2.gz RYPXQFFFTYBBFL-QHCPKHFHSA-N 1 2 428.454 5.246 3 0 IKAFLO C[C@@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000061895992 563147246 /nfs/dbraw/zinc/14/72/46/563147246.db2.gz RYPXQFFFTYBBFL-QHCPKHFHSA-N 1 2 428.454 5.246 3 0 IKAFLO CCCn1c2ccccc2[nH+]c1CCNc1nc(-c2cccc(Br)c2)cs1 ZINC000061936247 563150868 /nfs/dbraw/zinc/15/08/68/563150868.db2.gz RIVNKANIIWBZGA-UHFFFAOYSA-N 1 2 441.398 5.987 3 0 IKAFLO COc1ccccc1-c1sc2ccccc2c1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000061944883 563151081 /nfs/dbraw/zinc/15/10/81/563151081.db2.gz UFJZXIHGJOYLNB-UHFFFAOYSA-N 1 2 445.584 5.955 3 0 IKAFLO CC1=C(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](c2ccco2)n2c([nH+]c3ccccc32)N1 ZINC000064448314 563153437 /nfs/dbraw/zinc/15/34/37/563153437.db2.gz DYZDFOVDEVYGGO-HXUWFJFHSA-N 1 2 438.409 5.576 1 0 IKAFLO CC(C)(C)OC(=O)NCCOc1ccc(CNc2cc3c(c[nH+]2)[nH]c2ccccc23)cc1 ZINC000066076707 563157566 /nfs/dbraw/zinc/15/75/66/563157566.db2.gz GRDIKLDRFLFJEF-UHFFFAOYSA-N 1 2 432.524 5.232 1 0 IKAFLO CC(C)(C)OC(=O)NCCOc1cccc(CNc2cc3c(c[nH+]2)[nH]c2ccccc23)c1 ZINC000066079069 563157829 /nfs/dbraw/zinc/15/78/29/563157829.db2.gz OTCDWJOCBGCUFN-UHFFFAOYSA-N 1 2 432.524 5.232 1 0 IKAFLO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](Cc2cccc(Nc3nccs3)c2)CC1 ZINC000066101569 563158427 /nfs/dbraw/zinc/15/84/27/563158427.db2.gz RRDMXURVZWDTOU-UHFFFAOYSA-N 1 2 447.391 5.152 1 0 IKAFLO COc1cc(-c2noc3c2CCCN3[C@@H](C)c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000066103872 563158650 /nfs/dbraw/zinc/15/86/50/563158650.db2.gz YAEXPFSGRWAFJA-KRWDZBQOSA-N 1 2 432.499 5.497 1 0 IKAFLO CCOc1ccc2ccccc2c1Nc1ccc([C@H](n2cc[nH+]c2)C(C)(C)C(=O)OC)cc1 ZINC000071330292 563162444 /nfs/dbraw/zinc/16/24/44/563162444.db2.gz NANFXTXUURYZJT-VWLOTQADSA-N 1 2 443.547 5.967 1 0 IKAFLO COc1cc(C[N@H+](C)Cc2coc(-c3ccc(Cl)cc3Cl)n2)cc(OC)c1OC ZINC000072102775 563162784 /nfs/dbraw/zinc/16/27/84/563162784.db2.gz IVYMGWCDFGTVOZ-UHFFFAOYSA-N 1 2 437.323 5.306 1 0 IKAFLO COc1cc(C[N@@H+](C)Cc2coc(-c3ccc(Cl)cc3Cl)n2)cc(OC)c1OC ZINC000072102775 563162786 /nfs/dbraw/zinc/16/27/86/563162786.db2.gz IVYMGWCDFGTVOZ-UHFFFAOYSA-N 1 2 437.323 5.306 1 0 IKAFLO CCCCOC(=O)C(C)(C)[C@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1cc[nH+]c1 ZINC000072118125 563163708 /nfs/dbraw/zinc/16/37/08/563163708.db2.gz PRMYIDMFDBPNTK-SANMLTNESA-N 1 2 441.575 6.739 1 0 IKAFLO CC(C)OC(=O)C(C)(C)[C@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1cc[nH+]c1 ZINC000072117122 563163735 /nfs/dbraw/zinc/16/37/35/563163735.db2.gz ARPLVMIRPYYABB-VWLOTQADSA-N 1 2 427.548 6.347 1 0 IKAFLO FC(F)(F)Oc1ccccc1C[NH2+]Cc1coc(-c2ccccc2Br)n1 ZINC000072182925 563167500 /nfs/dbraw/zinc/16/75/00/563167500.db2.gz BOHKHOZGPDZDJK-UHFFFAOYSA-N 1 2 427.220 5.293 1 0 IKAFLO COc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)[nH+]c2)ccc1-c1sc(C)nc1C ZINC000072177244 563165963 /nfs/dbraw/zinc/16/59/63/563165963.db2.gz QVRIPQOOVMQPMR-HNNXBMFYSA-N 1 2 433.552 6.810 1 0 IKAFLO CCOc1ccccc1-c1nc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)co1 ZINC000072182481 563167397 /nfs/dbraw/zinc/16/73/97/563167397.db2.gz XUILJGPEXICTSJ-UHFFFAOYSA-N 1 2 431.458 5.081 1 0 IKAFLO Cc1ccc(C[NH2+][C@H](c2nc(-c3ccccc3)c(N3CCCCC3)o2)c2ccccc2)cc1 ZINC000072184988 563167985 /nfs/dbraw/zinc/16/79/85/563167985.db2.gz RNZRZPOQZHBBFJ-SANMLTNESA-N 1 2 437.587 6.520 1 0 IKAFLO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N(c1ccccc1)c1ccccc1 ZINC000073163672 563169574 /nfs/dbraw/zinc/16/95/74/563169574.db2.gz DBKKWZIPXQTQKY-UHFFFAOYSA-N 1 2 439.481 5.192 1 0 IKAFLO COc1cc(Nc2nc(C(C)(C)c3ccc(Cl)cc3)cs2)ccc1-n1c[nH+]c(C)c1 ZINC000073169292 563169773 /nfs/dbraw/zinc/16/97/73/563169773.db2.gz BLBGLDVPNBJPGY-UHFFFAOYSA-N 1 2 438.984 6.369 1 0 IKAFLO O=C(O[C@H](Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000073198570 563170075 /nfs/dbraw/zinc/17/00/75/563170075.db2.gz FTGIKYUPZVKOCF-QGZVFWFLSA-N 1 2 428.332 5.519 1 0 IKAFLO Cc1ccc(-c2[nH+]c3cc(C)c(Br)c(C)n3c2Cc2cccc(Cl)c2)cc1 ZINC000073243001 563171407 /nfs/dbraw/zinc/17/14/07/563171407.db2.gz RWUVMZWYLCAACK-UHFFFAOYSA-N 1 2 439.784 6.933 3 0 IKAFLO CS(=O)(=O)c1ccc(-c2c[nH+]c(N)c(-c3ccc(C(F)(F)F)cc3Cl)c2)cc1 ZINC000084723060 563177997 /nfs/dbraw/zinc/17/79/97/563177997.db2.gz NRSYMHKUTBGODJ-UHFFFAOYSA-N 1 2 426.847 5.074 1 0 IKAFLO O=C(Nc1cc(Cl)cc2c3cc(NCc4ccccc4)[nH+]cc3[nH]c21)c1ccccc1 ZINC000095555968 563181481 /nfs/dbraw/zinc/18/14/81/563181481.db2.gz HEDCDPVDIRYICE-UHFFFAOYSA-N 1 2 426.907 6.234 1 0 IKAFLO Cc1cn(-c2ccc(Oc3ccc(/C=C4\C(=O)Nc5ccc(Cl)cc54)cc3)cc2)c[nH+]1 ZINC000095563978 563183087 /nfs/dbraw/zinc/18/30/87/563183087.db2.gz QWDBKQQUJUFCHM-FMCGGJTJSA-N 1 2 427.891 6.119 1 0 IKAFLO Cc1cc2[nH+]c(-c3ccc(Cl)cc3)c(Cc3ccsc3)n2c(C)c1Br ZINC000095567630 563183742 /nfs/dbraw/zinc/18/37/42/563183742.db2.gz YMMHLDWXAZEHBO-UHFFFAOYSA-N 1 2 431.786 6.686 3 0 IKAFLO O=c1c(-c2ccco2)nc2ccccc2n1[C@H](CCc1ccccc1)c1[nH]c2ccccc2[nH+]1 ZINC000095569480 563184098 /nfs/dbraw/zinc/18/40/98/563184098.db2.gz QJUVNEIKCHYRNS-XMMPIXPASA-N 1 2 446.510 5.755 3 0 IKAFLO [NH2+]=C1Sc2cc(-c3ccc4[nH]cc(C(=O)C(F)(F)F)c4c3)ccc2C2=NCCCN12 ZINC000095574324 563185238 /nfs/dbraw/zinc/18/52/38/563185238.db2.gz JPHDEQFANJSRDC-UHFFFAOYSA-N 1 2 428.439 5.073 1 0 IKAFLO COc1ccccc1-c1nc2c(cccc2Nc2ccc(-n3c[nH+]c(C)c3)c(OC)c2)o1 ZINC000095574481 563185346 /nfs/dbraw/zinc/18/53/46/563185346.db2.gz RCSXZCSMRDNFEL-UHFFFAOYSA-N 1 2 426.476 5.750 1 0 IKAFLO CNc1nc[nH+]c(N)c1N(C=O)C/C=C(\C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]12 ZINC000095590247 563189949 /nfs/dbraw/zinc/18/99/49/563189949.db2.gz SGKIRYPVJGUSPZ-FGTPADRVSA-N 1 2 439.648 5.589 1 0 IKAFLO CNc1[nH+]cnc(N)c1N(C=O)C/C=C(\C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]12 ZINC000095590247 563189950 /nfs/dbraw/zinc/18/99/50/563189950.db2.gz SGKIRYPVJGUSPZ-FGTPADRVSA-N 1 2 439.648 5.589 1 0 IKAFLO Oc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1cc[nH+]c(NC2CCCCC2)n1 ZINC000095591766 563190371 /nfs/dbraw/zinc/19/03/71/563190371.db2.gz QMIXCBREDNAFJZ-UHFFFAOYSA-N 1 2 435.531 6.086 1 0 IKAFLO CCCCn1c2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2c2cc[nH+]c(C)c21 ZINC000095595803 563191372 /nfs/dbraw/zinc/19/13/72/563191372.db2.gz OPNRZLLMGYBKAB-UHFFFAOYSA-N 1 2 434.408 6.573 1 0 IKAFLO Cc1ccc(Cc2c(-c3cccc(Cl)c3)[nH+]c3c(C)cc(Br)cn23)cc1 ZINC000095599373 563192454 /nfs/dbraw/zinc/19/24/54/563192454.db2.gz LMOWAEDWAINXNI-UHFFFAOYSA-N 1 2 425.757 6.625 3 0 IKAFLO Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000095600922 563192650 /nfs/dbraw/zinc/19/26/50/563192650.db2.gz PESPCUGPWGZMLC-AREMUKBSSA-N 1 2 434.547 5.049 3 0 IKAFLO Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000095600922 563192652 /nfs/dbraw/zinc/19/26/52/563192652.db2.gz PESPCUGPWGZMLC-AREMUKBSSA-N 1 2 434.547 5.049 3 0 IKAFLO CNc1cc(-c2cccnc2Oc2ccc(Nc3[nH]c4ccc(F)c(F)c4[nH+]3)cc2)ccn1 ZINC000095921286 563195056 /nfs/dbraw/zinc/19/50/56/563195056.db2.gz WUBLYECGKVDFTH-UHFFFAOYSA-N 1 2 444.445 5.876 1 0 in-vitro IKAFLO Nc1nccn2c(C3CCC3)[nH+]c(-c3ccc(Oc4ccccc4OC(F)(F)F)cc3)c12 ZINC000096168233 563195224 /nfs/dbraw/zinc/19/52/24/563195224.db2.gz NCMWSKYYDRIVSV-UHFFFAOYSA-N 1 2 440.425 5.937 1 0 IKAFLO Fc1ccc(-c2[nH+]c3ccc(N4CCOCC4)cn3c2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000096927590 563198169 /nfs/dbraw/zinc/19/81/69/563198169.db2.gz DBRKDIVTVVPHJW-UHFFFAOYSA-N 1 2 449.529 6.311 1 0 IKAFLO COc1ccc([C@@]2(O)/C(=C/c3ccccc3)CCC[C@@H]2C[N@H+](C)c2ccc(C)cc2)cc1 ZINC000098082827 563200681 /nfs/dbraw/zinc/20/06/81/563200681.db2.gz PPBQVLVBXDUOPR-FWUDABMPSA-N 1 2 427.588 6.211 1 0 IKAFLO COc1ccc([C@@]2(O)/C(=C/c3ccccc3)CCC[C@@H]2C[N@@H+](C)c2ccc(C)cc2)cc1 ZINC000098082827 563200682 /nfs/dbraw/zinc/20/06/82/563200682.db2.gz PPBQVLVBXDUOPR-FWUDABMPSA-N 1 2 427.588 6.211 1 0 IKAFLO