smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000000631851 551505405 /nfs/dbraw/zinc/50/54/05/551505405.db2.gz DWUAYLPAXUEWNN-YVLHZVERSA-N 0 0 530.371 4.110 50 10 KICARN CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000000643138 132223842 /nfs/dbraw/zinc/22/38/42/132223842.db2.gz XMAYWYJOQHXEEK-OZXSUGGESA-N 0 0 531.440 4.206 50 10 fda KICARN CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000000643143 132223862 /nfs/dbraw/zinc/22/38/62/132223862.db2.gz XMAYWYJOQHXEEK-BVAGGSTKSA-N 0 0 531.440 4.206 50 10 fda KICARN CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000000643153 132223771 /nfs/dbraw/zinc/22/37/71/132223771.db2.gz XMAYWYJOQHXEEK-ZEQKJWHPSA-N 0 0 531.440 4.206 50 10 fda KICARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000000658176 551514354 /nfs/dbraw/zinc/51/43/54/551514354.db2.gz YILLWQORDZVFPU-JLPGSUDCSA-N 0 0 541.025 4.327 50 10 KICARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 ZINC000000658238 551514337 /nfs/dbraw/zinc/51/43/37/551514337.db2.gz HBXUSVIJCDIDHK-IWIPYMOSSA-N 0 0 506.580 4.252 50 10 KICARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 ZINC000000658252 551514336 /nfs/dbraw/zinc/51/43/36/551514336.db2.gz IUQTWMFYLHQJMX-HMAPJEAMSA-N 0 0 512.971 4.289 50 10 KICARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000000658282 551514334 /nfs/dbraw/zinc/51/43/34/551514334.db2.gz FJGNAXWBKLSFTF-UCQKPKSFSA-N 0 0 571.449 4.393 50 10 KICARN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000000658289 551514356 /nfs/dbraw/zinc/51/43/56/551514356.db2.gz INLQNYYRNJDYAL-XYGWBWBKSA-N 0 0 571.051 4.335 50 10 KICARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000000658292 551514358 /nfs/dbraw/zinc/51/43/58/551514358.db2.gz XRORDBAWOHBYJW-JLPGSUDCSA-N 0 0 585.476 4.436 50 10 KICARN COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000000658439 551514520 /nfs/dbraw/zinc/51/45/20/551514520.db2.gz LOIOKXGBKLDXQV-VGOFMYFVSA-N 0 0 506.334 4.042 50 10 KICARN COc1ccc(N2CCN(C(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)CC2)cc1 ZINC000000659905 551515689 /nfs/dbraw/zinc/51/56/89/551515689.db2.gz NSNBGYYTRHYDBL-UHFFFAOYSA-N 0 0 514.047 4.277 50 10 KICARN COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)ccc1OCCc1ccccc1 ZINC000000660902 551516080 /nfs/dbraw/zinc/51/60/80/551516080.db2.gz XLFCCFYFXFYKCT-QNGOZBTKSA-N 0 0 545.539 4.313 50 10 KICARN COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000000661276 551516234 /nfs/dbraw/zinc/51/62/34/551516234.db2.gz SMZARLAZBDNILS-ZDLGFXPLSA-N 0 0 522.364 4.294 50 10 KICARN COc1cc(C(=O)NN2C(=O)c3ccccc3N[C@@H]2c2cc(Br)ccc2O)cc(OC)c1OC ZINC000000668868 551518478 /nfs/dbraw/zinc/51/84/78/551518478.db2.gz FLHJHYBFOXZISQ-QFIPXVFZSA-N 0 0 528.359 4.092 50 10 KICARN COc1cc(C(=O)NN2C(=O)c3ccccc3N[C@H]2c2cc(Br)ccc2O)cc(OC)c1OC ZINC000000668870 551518460 /nfs/dbraw/zinc/51/84/60/551518460.db2.gz FLHJHYBFOXZISQ-JOCHJYFZSA-N 0 0 528.359 4.092 50 10 KICARN CCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3cc(C)c(C)cc3Br)cc2)C(=O)N(CC)C1=S ZINC000000669196 551518576 /nfs/dbraw/zinc/51/85/76/551518576.db2.gz KXFXMNURNPLSFV-UHFFFAOYSA-N 0 0 544.471 4.462 50 10 KICARN COc1cc(/C=C2\SC(N(C(C)=O)c3ccc(C)cc3)=NC2=O)cc(I)c1O ZINC000000679309 551523478 /nfs/dbraw/zinc/52/34/78/551523478.db2.gz FPHOPWDDRPWABN-YVLHZVERSA-N 0 0 508.337 4.337 50 10 KICARN CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000000689746 551526989 /nfs/dbraw/zinc/52/69/89/551526989.db2.gz MPKFPYYFFKYHDD-GSVIHCLBSA-N 0 0 561.480 4.094 50 10 biogenic,in-vitro KICARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(Br)c1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000000727140 551538396 /nfs/dbraw/zinc/53/83/96/551538396.db2.gz NBXPXDCZYDEKLP-PCCBWWKXSA-N 0 0 520.310 4.283 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000000727802 551538913 /nfs/dbraw/zinc/53/89/13/551538913.db2.gz OICVASDHEJUTFN-PCCBWWKXSA-N 0 0 520.310 4.283 50 10 KICARN CC(=O)N1CCN(c2nc(Nc3ccccc3C(=O)c3ccccc3)nc(OC(C(F)(F)F)C(F)(F)F)n2)CC1 ZINC000000754257 551541657 /nfs/dbraw/zinc/54/16/57/551541657.db2.gz ZLLHFEHUOYYDJT-UHFFFAOYSA-N 0 0 568.478 4.387 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(I)cc1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000000797209 551542900 /nfs/dbraw/zinc/54/29/00/551542900.db2.gz KJYCISBNTAQCMW-PCCBWWKXSA-N 0 0 555.368 4.114 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(F)c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000000830022 551546123 /nfs/dbraw/zinc/54/61/23/551546123.db2.gz HZYSCVWIZYZWCD-PCCBWWKXSA-N 0 0 520.310 4.283 50 10 KICARN COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)CC2)cc1 ZINC000000937490 551587427 /nfs/dbraw/zinc/58/74/27/551587427.db2.gz YEMJAINJHVHMPH-UHFFFAOYSA-N 0 0 521.683 4.434 50 10 KICARN CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(I)c3)c2C)C1=O ZINC000000980032 551591770 /nfs/dbraw/zinc/59/17/70/551591770.db2.gz QHMWUZNVSBKHMT-MFOYZWKCSA-N 0 0 510.353 4.298 50 10 KICARN O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S ZINC000001011320 551596709 /nfs/dbraw/zinc/59/67/09/551596709.db2.gz PIXWZLKNRMEPFW-NXVVXOECSA-N 0 0 559.250 4.390 50 10 KICARN CCOC(=O)c1cc(C(=O)OCC)cc(-n2c(C)cc(C(=O)CSc3nnc4ccccn43)c2C)c1 ZINC000001017567 551596963 /nfs/dbraw/zinc/59/69/63/551596963.db2.gz BIUZUXIFJQFWHE-UHFFFAOYSA-N 0 0 506.584 4.465 50 10 KICARN CCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000001065713 551601983 /nfs/dbraw/zinc/60/19/83/551601983.db2.gz DACLKDMKNDTPJF-ZCXUNETKSA-N 0 0 503.399 4.135 50 10 KICARN COc1ccc(CN2C(=O)/C(=C/c3c(NCc4ccco4)nc4ccccn4c3=O)SC2=S)cc1 ZINC000001099087 551608183 /nfs/dbraw/zinc/60/81/83/551608183.db2.gz RALQVMBVBTYDIU-MOSHPQCFSA-N 0 0 504.593 4.310 50 10 KICARN O=C1/C(=C/c2c(=O)n3ccccc3nc2NC[C@H]2CCCO2)SC(=S)N1Cc1ccccc1Cl ZINC000001100656 551608674 /nfs/dbraw/zinc/60/86/74/551608674.db2.gz GAFVNVPSGMSNPI-BKAYVGFPSA-N 0 0 513.044 4.340 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCCc3ccccc3)nc12 ZINC000001103713 551609142 /nfs/dbraw/zinc/60/91/42/551609142.db2.gz JSUMVAKBGNABHF-SLOMDMAXSA-N 0 0 506.653 4.038 50 10 KICARN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000001202741 551623872 /nfs/dbraw/zinc/62/38/72/551623872.db2.gz LTIVRYYXKABWIP-PGMHBOJBSA-N 0 0 522.652 4.113 50 10 KICARN C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000001218429 551627022 /nfs/dbraw/zinc/62/70/22/551627022.db2.gz CVEAVQSEDWPKQN-RCCKNPSSSA-N 0 0 529.544 4.382 50 10 KICARN O=C(NN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S)c1cccnc1 ZINC000001242698 551630926 /nfs/dbraw/zinc/63/09/26/551630926.db2.gz ASPVOXNFJWREFL-VXPUYCOJSA-N 0 0 506.996 4.198 50 10 KICARN O=C(NN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S)c1ccncc1 ZINC000001242700 551630875 /nfs/dbraw/zinc/63/08/75/551630875.db2.gz JRRYHMCRVYCGJO-VXPUYCOJSA-N 0 0 506.996 4.198 50 10 KICARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(OC)c1OC ZINC000001243432 551631188 /nfs/dbraw/zinc/63/11/88/551631188.db2.gz VVTYNMFSWVZWEJ-YBEGLDIGSA-N 0 0 509.403 4.021 50 10 KICARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc(OC)c1OC ZINC000001269288 551634393 /nfs/dbraw/zinc/63/43/93/551634393.db2.gz NGQOWFBOYQKQRE-YBEGLDIGSA-N 0 0 509.403 4.021 50 10 KICARN COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000001269467 551634346 /nfs/dbraw/zinc/63/43/46/551634346.db2.gz OLWXQTZLQZADRU-UHFFFAOYSA-N 0 0 556.356 4.466 50 10 KICARN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCc3ccccc3C2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000001294811 551637284 /nfs/dbraw/zinc/63/72/84/551637284.db2.gz JEHYHGISMGPFFE-ZVHZXABRSA-N 0 0 554.653 4.387 50 10 KICARN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCc3ccccc3C2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000001294812 551637321 /nfs/dbraw/zinc/63/73/21/551637321.db2.gz JEHYHGISMGPFFE-OYKKKHCWSA-N 0 0 554.653 4.387 50 10 KICARN O=C(CN1C(=O)/C(=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000001306025 551639035 /nfs/dbraw/zinc/63/90/35/551639035.db2.gz GCFXKRLHSVEAIU-MODMUFLJSA-N 0 0 514.028 4.076 50 10 KICARN O=C(CN1C(=O)/C(=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000001306027 551638973 /nfs/dbraw/zinc/63/89/73/551638973.db2.gz GCFXKRLHSVEAIU-JHBCHSCWSA-N 0 0 514.028 4.076 50 10 KICARN Cc1c(NC=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000001307339 551639368 /nfs/dbraw/zinc/63/93/68/551639368.db2.gz WGTZLSDCADJRGH-UHFFFAOYSA-N 0 0 509.591 4.145 50 10 KICARN O=C(CN1C(=O)/C(=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000001307573 551639407 /nfs/dbraw/zinc/63/94/07/551639407.db2.gz UMGXXXQUGDVNNG-MODMUFLJSA-N 0 0 514.028 4.076 50 10 KICARN O=C(CN1C(=O)/C(=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000001307576 551639423 /nfs/dbraw/zinc/63/94/23/551639423.db2.gz UMGXXXQUGDVNNG-JHBCHSCWSA-N 0 0 514.028 4.076 50 10 KICARN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000001315986 551640601 /nfs/dbraw/zinc/64/06/01/551640601.db2.gz LJXNRCKOTYLNFS-QPPCPWFDSA-N 0 0 509.518 4.166 50 10 KICARN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccccc1 ZINC000001410470 551664414 /nfs/dbraw/zinc/66/44/14/551664414.db2.gz RKFLIVUXOJUKBK-XIEYBQDHSA-N 0 0 500.624 4.479 50 10 KICARN CCN(CC)c1ccc([C@H]2N(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001445636 551674028 /nfs/dbraw/zinc/67/40/28/551674028.db2.gz DYMDTYKJLVWRMD-SANMLTNESA-N 0 0 513.685 4.235 50 10 KICARN COc1ccc(CCN2C(=O)/C(=C/c3c(=O)n4ccccc4nc3N3CCCCC3)SC2=S)cc1 ZINC000001449920 551674842 /nfs/dbraw/zinc/67/48/42/551674842.db2.gz AXXOXDHGAFPAOI-FXBPSFAMSA-N 0 0 506.653 4.137 50 10 KICARN CC[C@@H](C)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3ccccc3)CC2)SC1=S ZINC000001449944 551674899 /nfs/dbraw/zinc/67/48/99/551674899.db2.gz IUHITAKGNVFRGX-QUWSGOTNSA-N 0 0 505.669 4.021 50 10 KICARN CC[C@H](C)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3ccccc3)CC2)SC1=S ZINC000001449946 551674913 /nfs/dbraw/zinc/67/49/13/551674913.db2.gz IUHITAKGNVFRGX-HGBKYHTQSA-N 0 0 505.669 4.021 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000001449950 551674831 /nfs/dbraw/zinc/67/48/31/551674831.db2.gz QXBNZQLOKJDIOP-QNGOZBTKSA-N 0 0 523.659 4.078 50 10 KICARN CCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(c3ccccc3F)CC2)SC1=S ZINC000001449952 551674890 /nfs/dbraw/zinc/67/48/90/551674890.db2.gz AMXVWRRHKIFQAC-PGMHBOJBSA-N 0 0 523.659 4.080 50 10 KICARN 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/nfs/dbraw/zinc/01/42/04/553014204.db2.gz SFEIRYWYNMILNK-ZSJKCPIUSA-N 0 0 614.562 4.424 50 10 KICARN CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)N(C)C1=O ZINC000008424970 553014703 /nfs/dbraw/zinc/01/47/03/553014703.db2.gz ABLUCJRALJQMGR-UHFFFAOYSA-N 0 0 526.156 4.364 50 10 KICARN O=C1NC(=S)NC(=O)C1=Cc1ccc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000008425664 553016292 /nfs/dbraw/zinc/01/62/92/553016292.db2.gz VSEWLBDMCFSVPO-VWLOTQADSA-N 0 0 562.051 4.074 50 10 KICARN O=C1NC(=S)NC(=O)C1=Cc1ccc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000008425665 553016277 /nfs/dbraw/zinc/01/62/77/553016277.db2.gz VSEWLBDMCFSVPO-RUZDIDTESA-N 0 0 562.051 4.074 50 10 KICARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Br)cc2)OC32C(=O)c3ccccc3C2=O)cc1OC ZINC000008425781 553016541 /nfs/dbraw/zinc/01/65/41/553016541.db2.gz WCZCDXNIWJETFO-VABKMULXSA-N 0 0 562.372 4.161 50 10 KICARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Br)cc2)OC32C(=O)c3ccccc3C2=O)cc1OC ZINC000008425783 553016561 /nfs/dbraw/zinc/01/65/61/553016561.db2.gz WCZCDXNIWJETFO-RJGXRXQPSA-N 0 0 562.372 4.161 50 10 KICARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)C(C)(C)C2=S)S1 ZINC000008426470 553018433 /nfs/dbraw/zinc/01/84/33/553018433.db2.gz XQIRMUWTPKIZME-HZPDHXFCSA-N 0 0 614.767 4.372 50 10 KICARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)C(C)(C)C2=S)S1 ZINC000008426475 553018426 /nfs/dbraw/zinc/01/84/26/553018426.db2.gz USXJNPKETLAFOP-HOTGVXAUSA-N 0 0 630.766 4.072 50 10 KICARN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2cc(Br)ccc2O)N[C@@H](c2cc(Br)ccc2O)[C@H]1[N+](=O)[O-] ZINC000008431692 553023741 /nfs/dbraw/zinc/02/37/41/553023741.db2.gz LGUYRGFXQNABSG-FZDBZEDMSA-N 0 0 545.184 4.325 50 10 KICARN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2cc(Br)ccc2O)N[C@H](c2cc(Br)ccc2O)[C@H]1[N+](=O)[O-] ZINC000008431693 553023731 /nfs/dbraw/zinc/02/37/31/553023731.db2.gz LGUYRGFXQNABSG-TVFCKZIOSA-N 0 0 545.184 4.325 50 10 KICARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2Cl)OC32C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000008431963 553024717 /nfs/dbraw/zinc/02/47/17/553024717.db2.gz ZRWHLENYRZNAOF-RJGXRXQPSA-N 0 0 517.921 4.052 50 10 KICARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cc(C)ccc3N(C(=O)CN3C(=O)CCC3=O)C(C)(C)C2=S)S1 ZINC000008432155 553025387 /nfs/dbraw/zinc/02/53/87/553025387.db2.gz WLXSWVXVIZLOHL-UHFFFAOYSA-N 0 0 588.729 4.126 50 10 KICARN COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000008432735 553026893 /nfs/dbraw/zinc/02/68/93/553026893.db2.gz NPKNPXIUMNKCIR-FSSWDIPSSA-N 0 0 532.346 4.153 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(I)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000008434797 553029083 /nfs/dbraw/zinc/02/90/83/553029083.db2.gz KJYCISBNTAQCMW-HKBOAZHASA-N 0 0 555.368 4.114 50 10 KICARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(I)cc2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000008434801 553029091 /nfs/dbraw/zinc/02/90/91/553029091.db2.gz IYGRMQSXJWKXCY-VABKMULXSA-N 0 0 621.383 4.163 50 10 KICARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(I)cc2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000008434803 553029095 /nfs/dbraw/zinc/02/90/95/553029095.db2.gz IYGRMQSXJWKXCY-RJGXRXQPSA-N 0 0 621.383 4.163 50 10 KICARN Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000008434989 553029596 /nfs/dbraw/zinc/02/95/96/553029596.db2.gz VUAMWUGAEXTRGG-FSSWDIPSSA-N 0 0 516.347 4.453 50 10 KICARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000008434991 553029615 /nfs/dbraw/zinc/02/96/15/553029615.db2.gz VUAMWUGAEXTRGG-BHIFYINESA-N 0 0 516.347 4.453 50 10 KICARN COc1c(I)cc(I)cc1/C=C1/C(=O)[N-]N(c2ccc(Br)cc2)C1=O ZINC000008435019 553029572 /nfs/dbraw/zinc/02/95/72/553029572.db2.gz RFXNIXZQKLUECD-QPEQYQDCSA-N 0 0 624.998 4.128 50 10 KICARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2cccc(Cl)c2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000008435092 553029570 /nfs/dbraw/zinc/02/95/70/553029570.db2.gz AUDIHLFGQUCBRC-RJGXRXQPSA-N 0 0 529.932 4.212 50 10 KICARN COc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)c1 ZINC000008435321 553030240 /nfs/dbraw/zinc/03/02/40/553030240.db2.gz DXGIDUPULYCHNC-FDFHNCONSA-N 0 0 532.346 4.153 50 10 KICARN COc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)c1 ZINC000008435322 553030263 /nfs/dbraw/zinc/03/02/63/553030263.db2.gz DXGIDUPULYCHNC-FKBYEOEOSA-N 0 0 532.346 4.153 50 10 KICARN O=C1C(=Cc2cc(Br)c(N3CCOCC3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000008436958 553031123 /nfs/dbraw/zinc/03/11/23/553031123.db2.gz PXGXACPFWHTFCD-UHFFFAOYSA-N 0 0 522.355 4.462 50 10 KICARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000008437850 553032181 /nfs/dbraw/zinc/03/21/81/553032181.db2.gz HCVARBMPIHITMG-ZUCAMLDZSA-N 0 0 632.536 4.493 50 10 KICARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000008437853 553032199 /nfs/dbraw/zinc/03/21/99/553032199.db2.gz HCVARBMPIHITMG-FSFYKJEYSA-N 0 0 632.536 4.493 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000008438303 553033813 /nfs/dbraw/zinc/03/38/13/553033813.db2.gz JGICRTNOGMLNKF-PQRKSKNISA-N 0 0 599.709 4.391 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000008438305 553033818 /nfs/dbraw/zinc/03/38/18/553033818.db2.gz JGICRTNOGMLNKF-NNAGEYCMSA-N 0 0 599.709 4.391 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000008438311 553033857 /nfs/dbraw/zinc/03/38/57/553033857.db2.gz TYUFXLVMJAVCKW-FHQMNNMHSA-N 0 0 585.682 4.333 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000008438312 553033808 /nfs/dbraw/zinc/03/38/08/553033808.db2.gz TYUFXLVMJAVCKW-IPAKXIGBSA-N 0 0 585.682 4.333 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008438592 553034725 /nfs/dbraw/zinc/03/47/25/553034725.db2.gz HAPKCIXXSVAWOS-XQNWCSQWSA-N 0 0 585.682 4.001 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008438593 553034766 /nfs/dbraw/zinc/03/47/66/553034766.db2.gz HAPKCIXXSVAWOS-RGFRMHDHSA-N 0 0 585.682 4.001 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000008438597 553034734 /nfs/dbraw/zinc/03/47/34/553034734.db2.gz XJLZSRXNHSXGSF-XSZPGNIMSA-N 0 0 561.685 4.054 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000008438599 553034742 /nfs/dbraw/zinc/03/47/42/553034742.db2.gz XJLZSRXNHSXGSF-XXMKCSCWSA-N 0 0 561.685 4.054 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000008438697 553034898 /nfs/dbraw/zinc/03/48/98/553034898.db2.gz KCILNLBFPVUBFR-ASZNLBCTSA-N 0 0 579.719 4.060 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000008438698 553034969 /nfs/dbraw/zinc/03/49/69/553034969.db2.gz KCILNLBFPVUBFR-YNMQQHPQSA-N 0 0 579.719 4.060 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000008440637 553038243 /nfs/dbraw/zinc/03/82/43/553038243.db2.gz UDAQUGISLYDNFS-OCEWKHMESA-N 0 0 515.610 4.345 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000008440638 553038192 /nfs/dbraw/zinc/03/81/92/553038192.db2.gz UDAQUGISLYDNFS-MKWGYRPRSA-N 0 0 515.610 4.345 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000008440642 553038232 /nfs/dbraw/zinc/03/82/32/553038232.db2.gz UEMPXDCVOLNCIE-XQNWCSQWSA-N 0 0 558.679 4.411 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000008440644 553038238 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10 KICARN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000013757827 553488566 /nfs/dbraw/zinc/48/85/66/553488566.db2.gz KDTRLOYYBSGZHG-NCELDCMTSA-N 0 0 519.648 4.242 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCCc3ccccc3)nc12 ZINC000013765282 553488924 /nfs/dbraw/zinc/48/89/24/553488924.db2.gz JSUMVAKBGNABHF-CBAAQYGVSA-N 0 0 506.653 4.038 50 10 KICARN COc1ccc(C=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000013765689 553488919 /nfs/dbraw/zinc/48/89/19/553488919.db2.gz ATKPZFQENHQRQQ-STZFKDTASA-N 0 0 503.580 4.291 50 10 KICARN N=C1/C(=C/c2ccc(OCCCOc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN21 ZINC000013769874 553489405 /nfs/dbraw/zinc/48/94/05/553489405.db2.gz HQPDQARVNUJUGR-RASFQVKSSA-N 0 0 517.611 4.166 50 10 KICARN COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccccc1F ZINC000013770528 553489413 /nfs/dbraw/zinc/48/94/13/553489413.db2.gz YCACJQXUFANWHH-ZDFNEKIDSA-N 0 0 501.499 4.116 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3C[C@@H](C)O[C@@H](C)C3)nc12 ZINC000013773806 553489570 /nfs/dbraw/zinc/48/95/70/553489570.db2.gz FGEHNEFXVJIBEO-GNHDSAMZSA-N 0 0 506.653 4.018 50 10 KICARN CCCCCCN1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)NC1=S ZINC000013774141 553489601 /nfs/dbraw/zinc/48/96/01/553489601.db2.gz QQSZBJRJTSFJIJ-KQWNVCNZSA-N 0 0 509.628 4.440 50 10 KICARN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000013774497 553489584 /nfs/dbraw/zinc/48/95/84/553489584.db2.gz AHXRZZAMWIGREZ-LELXDKESSA-N 0 0 500.554 4.203 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(NCCCn3ccnc3)nc12 ZINC000013774971 553489825 /nfs/dbraw/zinc/48/98/25/553489825.db2.gz SXGXBAPZZKZZGK-QNGOZBTKSA-N 0 0 516.652 4.103 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 ZINC000013775116 553489835 /nfs/dbraw/zinc/48/98/35/553489835.db2.gz ACXMVWKPNPMNQX-SFICBIAHSA-N 0 0 520.680 4.060 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@@H](C)O[C@@H](C)C3)nc12 ZINC000013775118 553489816 /nfs/dbraw/zinc/48/98/16/553489816.db2.gz ACXMVWKPNPMNQX-TZLCODDSSA-N 0 0 520.680 4.060 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 ZINC000013775120 553489831 /nfs/dbraw/zinc/48/98/31/553489831.db2.gz ACXMVWKPNPMNQX-URPMRKEOSA-N 0 0 520.680 4.060 50 10 KICARN Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1 ZINC000013778709 553490225 /nfs/dbraw/zinc/49/02/25/553490225.db2.gz LCWCIVYJVRTHPQ-KOKPDDJTSA-N 0 0 517.611 4.084 50 10 KICARN N=C1/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN21 ZINC000013778963 553490148 /nfs/dbraw/zinc/49/01/48/553490148.db2.gz ZEIIJZLIRQHKCT-XDWJAMLSSA-N 0 0 519.558 4.067 50 10 KICARN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000013801377 553491402 /nfs/dbraw/zinc/49/14/02/553491402.db2.gz KTBISMJIDMSICY-KDSDTBODSA-N 0 0 519.667 4.042 50 10 KICARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OS(C)(=O)=O ZINC000013801850 553491388 /nfs/dbraw/zinc/49/13/88/553491388.db2.gz NJJANUJSNYTNOS-WLNNWNTISA-N 0 0 503.989 4.381 50 10 KICARN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000013810639 553492549 /nfs/dbraw/zinc/49/25/49/553492549.db2.gz SLNJCVZISRMLCG-NCELDCMTSA-N 0 0 519.648 4.242 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 ZINC000013811080 553492453 /nfs/dbraw/zinc/49/24/53/553492453.db2.gz YQOYVYGMTBSWRA-PLDFPGSMSA-N 0 0 506.653 4.292 50 10 KICARN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1O ZINC000013880305 553493878 /nfs/dbraw/zinc/49/38/78/553493878.db2.gz YLVOHSFOTATTBF-OQLLNIDSSA-N 0 0 500.383 4.351 50 10 KICARN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCCOc1ccccc1 ZINC000013892934 553494209 /nfs/dbraw/zinc/49/42/09/553494209.db2.gz PTAUVVGHDWSHDF-WJDWOHSUSA-N 0 0 513.378 4.246 50 10 KICARN COc1cc(/C=C2/SC(N(C(C)=O)c3ccc(C)cc3)=NC2=O)cc(I)c1O ZINC000013915404 553495621 /nfs/dbraw/zinc/49/56/21/553495621.db2.gz FPHOPWDDRPWABN-LICLKQGHSA-N 0 0 508.337 4.337 50 10 KICARN COc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)ccc1OCC(=O)NCc1ccccc1 ZINC000013915492 553495613 /nfs/dbraw/zinc/49/56/13/553495613.db2.gz YVXMPIYISKFAQG-UCQKPKSFSA-N 0 0 500.511 4.105 50 10 KICARN CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCCOc1ccc(C)cc1 ZINC000013940301 553496151 /nfs/dbraw/zinc/49/61/51/553496151.db2.gz WRVOWPGOYKAYPZ-UHFFFAOYSA-N 0 0 517.376 4.048 50 10 KICARN Cc1cc(C(=O)CN2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000014086384 553500388 /nfs/dbraw/zinc/50/03/88/553500388.db2.gz QKZVPYUDJSQGRO-UHFFFAOYSA-N 0 0 523.030 4.071 50 10 KICARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000014128867 553501443 /nfs/dbraw/zinc/50/14/43/553501443.db2.gz KLFWZSXZXQPHKD-UHFFFAOYSA-N 0 0 510.502 4.441 50 10 KICARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000014257397 553506692 /nfs/dbraw/zinc/50/66/92/553506692.db2.gz ZZWKLWAMYDIWQS-CUPKDKKMSA-N 0 0 515.660 4.063 50 10 KICARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000014257398 553506705 /nfs/dbraw/zinc/50/67/05/553506705.db2.gz ZZWKLWAMYDIWQS-MSMNXAATSA-N 0 0 515.660 4.063 50 10 KICARN CCOC(=O)Cc1csc(SCC(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)n1 ZINC000014358285 553512841 /nfs/dbraw/zinc/51/28/41/553512841.db2.gz MUCXDZLMQFNSSK-UHFFFAOYSA-N 0 0 500.985 4.408 50 10 KICARN Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000014358617 553512990 /nfs/dbraw/zinc/51/29/90/553512990.db2.gz GJRHGHCDZMMHPD-VDGAXYAQSA-N 0 0 504.505 4.403 50 10 KICARN COc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)nc3N3CCC[C@@H](CO)C3)CC2)cc1 ZINC000014881701 553521013 /nfs/dbraw/zinc/52/10/13/553521013.db2.gz DQYCIUTVAJYFGM-OAQYLSRUSA-N 0 0 504.606 4.067 50 10 KICARN COc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)nc3N3CCC[C@H](CO)C3)CC2)cc1 ZINC000014881702 553521064 /nfs/dbraw/zinc/52/10/64/553521064.db2.gz DQYCIUTVAJYFGM-NRFANRHFSA-N 0 0 504.606 4.067 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000015018601 553526471 /nfs/dbraw/zinc/52/64/71/553526471.db2.gz BPCNCWWXBPUKRD-OKGRRGNVSA-N 0 0 519.667 4.043 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000015018602 553526452 /nfs/dbraw/zinc/52/64/52/553526452.db2.gz BPCNCWWXBPUKRD-MBXGISOLSA-N 0 0 519.667 4.043 50 10 KICARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000015240553 553530130 /nfs/dbraw/zinc/53/01/30/553530130.db2.gz FEHVTWFWBBJSNR-GXMOOAJBSA-N 0 0 507.528 4.488 50 10 KICARN CC(C)C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000015276317 553530301 /nfs/dbraw/zinc/53/03/01/553530301.db2.gz TVARTLGUEUGQMR-LVBDUCALSA-N 0 0 521.795 4.128 50 10 KICARN COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=N)N2N=C(C(C)C)SC2=NC1=O ZINC000015276350 553530260 /nfs/dbraw/zinc/53/02/60/553530260.db2.gz XJZYBSZTLZGVIQ-IHVOSJJMSA-N 0 0 509.544 4.336 50 10 KICARN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(NC(C)=O)cc4)c(OC)c3)C2=N)S1 ZINC000015935728 553542793 /nfs/dbraw/zinc/54/27/93/553542793.db2.gz CYYBFRVLNWODRO-LMEPTBFJSA-N 0 0 507.572 4.141 50 10 KICARN NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000015945259 553544073 /nfs/dbraw/zinc/54/40/73/553544073.db2.gz AVFOSCKNODICTN-STZFKDTASA-N 0 0 501.486 4.262 50 10 KICARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)cc(C)c2O)N3)C1 ZINC000015947010 553545066 /nfs/dbraw/zinc/54/50/66/553545066.db2.gz LBBPVYSKIKKNKQ-MRXNPFEDSA-N 0 0 513.357 4.310 50 10 KICARN COC(=O)[C@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000015953489 553545814 /nfs/dbraw/zinc/54/58/14/553545814.db2.gz WNRPPOKGKWYFDD-KKUQBAQOSA-N 0 0 525.557 4.319 50 10 biogenic KICARN COC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2OC)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000015955957 553546310 /nfs/dbraw/zinc/54/63/10/553546310.db2.gz PCOLEOKCAUWMCO-CCDWMCETSA-N 0 0 525.557 4.319 50 10 biogenic KICARN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4cc(=O)n5nc(CC)sc5n4)cc3)C2=N)S1 ZINC000015961231 553546875 /nfs/dbraw/zinc/54/68/75/553546875.db2.gz UTQGFLZBTSUNDQ-LECIVKJOSA-N 0 0 521.628 4.102 50 10 KICARN CCc1ccc(N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016161613 553555729 /nfs/dbraw/zinc/55/57/29/553555729.db2.gz SWJAZBNGIHNVLP-UHFFFAOYSA-N 0 0 507.656 4.110 50 10 KICARN COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000016275896 553558261 /nfs/dbraw/zinc/55/82/61/553558261.db2.gz IFKWKGQLVLTMRK-UHFFFAOYSA-N 0 0 528.074 4.197 50 10 KICARN COc1ccc(N2CCN(C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000016292555 553559008 /nfs/dbraw/zinc/55/90/08/553559008.db2.gz NZDZHESFRIYHSU-UHFFFAOYSA-N 0 0 514.047 4.201 50 10 KICARN COc1ccc(N2CCN(C(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000016426417 553562993 /nfs/dbraw/zinc/56/29/93/553562993.db2.gz LOJPQTBHMIRJMZ-UHFFFAOYSA-N 0 0 514.047 4.201 50 10 KICARN COc1ccc(N2CCN(C(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000016448521 553564946 /nfs/dbraw/zinc/56/49/46/553564946.db2.gz QMKAKJVTLJIPOH-UHFFFAOYSA-N 0 0 514.047 4.201 50 10 KICARN O=C1C(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000016488504 553566285 /nfs/dbraw/zinc/56/62/85/553566285.db2.gz HNGODHQKVPUQAL-UHFFFAOYSA-N 0 0 514.563 4.180 50 10 KICARN CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000016679786 553571882 /nfs/dbraw/zinc/57/18/82/553571882.db2.gz KTBISMJIDMSICY-ASSGYOTOSA-N 0 0 519.667 4.042 50 10 KICARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1C ZINC000016700065 553574305 /nfs/dbraw/zinc/57/43/05/553574305.db2.gz CSUCVTGLYRAXTK-JLPGSUDCSA-N 0 0 515.639 4.414 50 10 KICARN C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 ZINC000016700396 553574438 /nfs/dbraw/zinc/57/44/38/553574438.db2.gz BHUFZMNJPDMBMP-YQODDJSKSA-N 0 0 520.636 4.061 50 10 KICARN C[C@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 ZINC000016700398 553574424 /nfs/dbraw/zinc/57/44/24/553574424.db2.gz BHUFZMNJPDMBMP-IXGURIBZSA-N 0 0 520.636 4.061 50 10 KICARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)c(C)c1 ZINC000016700767 553574621 /nfs/dbraw/zinc/57/46/21/553574621.db2.gz BRXGOSBDYIVNLX-JLPGSUDCSA-N 0 0 515.639 4.414 50 10 KICARN COCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000016713667 553575153 /nfs/dbraw/zinc/57/51/53/553575153.db2.gz IMODZHYZOCCEGM-PYCFMQQDSA-N 0 0 520.680 4.001 50 10 KICARN Cc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000016713736 553575118 /nfs/dbraw/zinc/57/51/18/553575118.db2.gz INLOGMAYRDQIGH-UOIFGXKSSA-N 0 0 506.653 4.304 50 10 KICARN Cc1ccc(CN2C(=O)/C(=C/c3c(NC[C@@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1 ZINC000016713832 553575415 /nfs/dbraw/zinc/57/54/15/553575415.db2.gz BLGZTWKUUDTCNE-IAFWPLRWSA-N 0 0 506.653 4.304 50 10 KICARN Cc1ccc(CN2C(=O)/C(=C/c3c(NC[C@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1 ZINC000016713834 553575373 /nfs/dbraw/zinc/57/53/73/553575373.db2.gz BLGZTWKUUDTCNE-UOIFGXKSSA-N 0 0 506.653 4.304 50 10 KICARN COc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000016713862 553575437 /nfs/dbraw/zinc/57/54/37/553575437.db2.gz AZTDEZNQFFNFMC-GFIJVFARSA-N 0 0 522.652 4.004 50 10 KICARN COc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000016729604 553575887 /nfs/dbraw/zinc/57/58/87/553575887.db2.gz SEFIWUBQMLZJNF-IOVUBPJKSA-N 0 0 522.652 4.004 50 10 KICARN CCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(OC)cc3OC)C2=O)SC1=S ZINC000016729767 553575916 /nfs/dbraw/zinc/57/59/16/553575916.db2.gz WWGIAGHMWUKNSM-FCQUAONHSA-N 0 0 525.652 4.451 50 10 KICARN CCOCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(OCC)cc3)C2=O)SC1=S ZINC000016730070 553576351 /nfs/dbraw/zinc/57/63/51/553576351.db2.gz TUOYBUOWSUERSZ-FCQUAONHSA-N 0 0 525.652 4.069 50 10 KICARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C\c3ccc(N(C)C)cc3)sc2=N1 ZINC000016730116 553576336 /nfs/dbraw/zinc/57/63/36/553576336.db2.gz VRBCNUJAPLWPFZ-OWXSRONMSA-N 0 0 515.660 4.106 50 10 KICARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccc(N(C)C)cc3)sc2=N1 ZINC000016730118 553576314 /nfs/dbraw/zinc/57/63/14/553576314.db2.gz VRBCNUJAPLWPFZ-ZMIGGIFCSA-N 0 0 515.660 4.106 50 10 KICARN Cc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)C2=O)c(C)c1 ZINC000016730420 553576409 /nfs/dbraw/zinc/57/64/09/553576409.db2.gz BFJFNWZQTPRUPU-ANZZGNCFSA-N 0 0 507.637 4.039 50 10 KICARN Cc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)C2=O)c(C)c1 ZINC000016730423 553576560 /nfs/dbraw/zinc/57/65/60/553576560.db2.gz BFJFNWZQTPRUPU-LBNMDVIHSA-N 0 0 507.637 4.039 50 10 KICARN CCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(Br)c3)C2=O)SC1=S ZINC000016730635 553576423 /nfs/dbraw/zinc/57/64/23/553576423.db2.gz OQPZPDXCBJVNHW-HNENSFHCSA-N 0 0 516.442 4.416 50 10 KICARN CCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(Br)c3)C2=O)SC1=S ZINC000016730638 553576517 /nfs/dbraw/zinc/57/65/17/553576517.db2.gz GASKYVBVVXBWEN-ZCXUNETKSA-N 0 0 502.415 4.026 50 10 KICARN CCOCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C2=O)SC1=S ZINC000016730645 553576719 /nfs/dbraw/zinc/57/67/19/553576719.db2.gz IGFPBEIVNFLOGB-MRCUWXFGSA-N 0 0 516.044 4.323 50 10 KICARN Cc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)C2=O)cc1C ZINC000016730676 553576684 /nfs/dbraw/zinc/57/66/84/553576684.db2.gz JFINEXHVERCSDU-KYAFNBKBSA-N 0 0 507.637 4.039 50 10 KICARN Cc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)C2=O)cc1C ZINC000016730679 553576702 /nfs/dbraw/zinc/57/67/02/553576702.db2.gz JFINEXHVERCSDU-LINNUKDLSA-N 0 0 507.637 4.039 50 10 KICARN CCOCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)SC1=S ZINC000016730684 553576699 /nfs/dbraw/zinc/57/66/99/553576699.db2.gz FZFYOPQCWBMGNC-FCQUAONHSA-N 0 0 509.653 4.287 50 10 KICARN CCOCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccccc3Cl)C2=O)SC1=S ZINC000016730752 553576697 /nfs/dbraw/zinc/57/66/97/553576697.db2.gz APGJZSVUBYCPBI-MRCUWXFGSA-N 0 0 516.044 4.323 50 10 KICARN O=C(CN1C(=O)/C(=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)Nc1ccccc1Cl ZINC000016730755 553576723 /nfs/dbraw/zinc/57/67/23/553576723.db2.gz NBIMCWASKXKSCI-WBOBJJNYSA-N 0 0 514.028 4.076 50 10 KICARN O=C(CN1C(=O)/C(=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)Nc1ccccc1Cl ZINC000016730758 553576709 /nfs/dbraw/zinc/57/67/09/553576709.db2.gz NBIMCWASKXKSCI-JTKIUVGSSA-N 0 0 514.028 4.076 50 10 KICARN CCOCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cc(C)ccc3C)C2=O)SC1=S ZINC000016730863 553576953 /nfs/dbraw/zinc/57/69/53/553576953.db2.gz QBQCLKAVWIZJNV-FCQUAONHSA-N 0 0 509.653 4.287 50 10 KICARN CCOCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C)cc3C)C2=O)SC1=S ZINC000016730954 553576910 /nfs/dbraw/zinc/57/69/10/553576910.db2.gz VHEKFFRSIAATBI-FCQUAONHSA-N 0 0 509.653 4.287 50 10 KICARN O=C(CN1c2ccccc2/C(=C2/SC(=S)N(C3CCCCC3)C2=O)C1=O)NCCc1ccccc1 ZINC000016730960 553576907 /nfs/dbraw/zinc/57/69/07/553576907.db2.gz CDFNITPWLTUYTB-VHXPQNKSSA-N 0 0 505.665 4.296 50 10 KICARN CCOCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3c(C)cccc3C)C2=O)SC1=S ZINC000016731553 553577102 /nfs/dbraw/zinc/57/71/02/553577102.db2.gz IWWGSEKYNAGZSF-LNVKXUELSA-N 0 0 509.653 4.287 50 10 KICARN Cc1cccc(C)c1NC(=O)CN1c2ccccc2/C(=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)C1=O ZINC000016731592 553577110 /nfs/dbraw/zinc/57/71/10/553577110.db2.gz MNNBQARFECTKIA-JHGXHUTESA-N 0 0 507.637 4.039 50 10 KICARN Cc1cccc(C)c1NC(=O)CN1c2ccccc2/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)C1=O ZINC000016731595 553577060 /nfs/dbraw/zinc/57/70/60/553577060.db2.gz MNNBQARFECTKIA-JEBJBBSMSA-N 0 0 507.637 4.039 50 10 KICARN O=C(CN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21)NCCc1ccccc1 ZINC000016731954 553577343 /nfs/dbraw/zinc/57/73/43/553577343.db2.gz ZPZYOMWANSKFEG-IZHYLOQSSA-N 0 0 513.644 4.164 50 10 KICARN O=C(CN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)NCc1ccccc1 ZINC000016732293 553577750 /nfs/dbraw/zinc/57/77/50/553577750.db2.gz ZXHYIOCIOHWRJZ-IZHYLOQSSA-N 0 0 513.644 4.164 50 10 KICARN COc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000016732981 553577764 /nfs/dbraw/zinc/57/77/64/553577764.db2.gz KNGOLDGHBUBGKN-MOSHPQCFSA-N 0 0 504.593 4.310 50 10 KICARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)SC1=S ZINC000016734199 553578518 /nfs/dbraw/zinc/57/85/18/553578518.db2.gz DMILYCJQXMSZDS-WMQDIMNQSA-N 0 0 506.653 4.271 50 10 KICARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)SC1=S ZINC000016734202 553578562 /nfs/dbraw/zinc/57/85/62/553578562.db2.gz DMILYCJQXMSZDS-VXHYEFCESA-N 0 0 506.653 4.271 50 10 KICARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)SC1=S ZINC000016734205 553578496 /nfs/dbraw/zinc/57/84/96/553578496.db2.gz DMILYCJQXMSZDS-YFEFYOJCSA-N 0 0 506.653 4.271 50 10 KICARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)SC1=S ZINC000016734207 553578516 /nfs/dbraw/zinc/57/85/16/553578516.db2.gz DMILYCJQXMSZDS-LCZANJLKSA-N 0 0 506.653 4.271 50 10 KICARN CC[C@@H](C)N1C(=O)/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S ZINC000016734293 553578570 /nfs/dbraw/zinc/57/85/70/553578570.db2.gz AVJZCIXKTBDMPG-RKQRPNFGSA-N 0 0 508.625 4.343 50 10 KICARN CC[C@H](C)N1C(=O)/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S ZINC000016734297 553578503 /nfs/dbraw/zinc/57/85/03/553578503.db2.gz AVJZCIXKTBDMPG-ANQVYJHKSA-N 0 0 508.625 4.343 50 10 KICARN Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 ZINC000016734305 553578565 /nfs/dbraw/zinc/57/85/65/553578565.db2.gz ZFNDUFKENXCLOJ-UKWGHVSLSA-N 0 0 508.625 4.201 50 10 KICARN O=C1/C(=C/c2c(=O)n3ccccc3nc2NC[C@@H]2CCCO2)SC(=S)N1Cc1ccccc1Cl ZINC000016734435 553578493 /nfs/dbraw/zinc/57/84/93/553578493.db2.gz GAFVNVPSGMSNPI-JJBLJPBOSA-N 0 0 513.044 4.340 50 10 KICARN COc1ccc(CN2C(=O)/C(=C/c3c(NC[C@@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1 ZINC000016734606 553578520 /nfs/dbraw/zinc/57/85/20/553578520.db2.gz SYVKXEWJRLUBFL-VFAFIFLJSA-N 0 0 522.652 4.004 50 10 KICARN COc1ccc(CN2C(=O)/C(=C/c3c(NC[C@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1 ZINC000016734609 553578499 /nfs/dbraw/zinc/57/84/99/553578499.db2.gz SYVKXEWJRLUBFL-GFIJVFARSA-N 0 0 522.652 4.004 50 10 KICARN Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000016734686 553578522 /nfs/dbraw/zinc/57/85/22/553578522.db2.gz JTOWINQKZXSGJS-VFAFIFLJSA-N 0 0 506.653 4.304 50 10 KICARN Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000016734689 553578656 /nfs/dbraw/zinc/57/86/56/553578656.db2.gz JTOWINQKZXSGJS-GFIJVFARSA-N 0 0 506.653 4.304 50 10 KICARN Cc1ccc(CN2C(=O)/C(=C/c3c(NC[C@@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1 ZINC000016734828 553578697 /nfs/dbraw/zinc/57/86/97/553578697.db2.gz JRTAISSMEZCNOP-VFAFIFLJSA-N 0 0 506.653 4.304 50 10 KICARN Cc1ccc(CN2C(=O)/C(=C/c3c(NC[C@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1 ZINC000016734831 553578717 /nfs/dbraw/zinc/57/87/17/553578717.db2.gz JRTAISSMEZCNOP-GFIJVFARSA-N 0 0 506.653 4.304 50 10 KICARN COc1ccc(CCN2C(=O)/C(=C/c3c(=O)n4cccc(C)c4nc3N3CCCC3)SC2=S)cc1 ZINC000016737447 553579323 /nfs/dbraw/zinc/57/93/23/553579323.db2.gz LFZLKBXMUPNPGW-PGMHBOJBSA-N 0 0 506.653 4.056 50 10 KICARN CCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(OC)cc3OC)C2=O)SC1=S ZINC000016805319 553582839 /nfs/dbraw/zinc/58/28/39/553582839.db2.gz KLZDQQLIDDUVRQ-DQRAZIAOSA-N 0 0 511.625 4.061 50 10 KICARN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N([C@@H](C)CC)C3=O)C2=O)cc1 ZINC000016805352 553582834 /nfs/dbraw/zinc/58/28/34/553582834.db2.gz HRCXSJNVBTUCQO-WNIYRAMRSA-N 0 0 523.636 4.219 50 10 KICARN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N([C@H](C)CC)C3=O)C2=O)cc1 ZINC000016805354 553582894 /nfs/dbraw/zinc/58/28/94/553582894.db2.gz HRCXSJNVBTUCQO-JUUUUTHISA-N 0 0 523.636 4.219 50 10 KICARN CCOCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(Cl)c3)C2=O)SC1=S ZINC000016805356 553582878 /nfs/dbraw/zinc/58/28/78/553582878.db2.gz BWUFPAJFBRWAQE-MRCUWXFGSA-N 0 0 516.044 4.323 50 10 KICARN COc1ccc(Cl)cc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000017118316 553588235 /nfs/dbraw/zinc/58/82/35/553588235.db2.gz UQUJGCNSYQQTBP-VJBWXMMDSA-N 0 0 501.922 4.352 50 10 KICARN COc1ccc(Cl)cc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000017118318 553588174 /nfs/dbraw/zinc/58/81/74/553588174.db2.gz UQUJGCNSYQQTBP-XPWALMASSA-N 0 0 501.922 4.352 50 10 KICARN COc1cc(/C=C2/C(C)=NN(c3ccc(S(N)(=O)=O)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000017167138 553589922 /nfs/dbraw/zinc/58/99/22/553589922.db2.gz GEXJCLNTMJYORC-XKZIYDEJSA-N 0 0 511.987 4.381 50 10 KICARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000017200642 553590481 /nfs/dbraw/zinc/59/04/81/553590481.db2.gz UVJBWQKVSRWSDT-UHFFFAOYSA-N 0 0 508.555 4.466 50 10 KICARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000017200644 553590495 /nfs/dbraw/zinc/59/04/95/553590495.db2.gz GUBSSQMCKPXWTE-UHFFFAOYSA-N 0 0 508.555 4.466 50 10 KICARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000017306816 553592876 /nfs/dbraw/zinc/59/28/76/553592876.db2.gz OVLGWYCLMFOZST-IDCRMVTHSA-N 0 0 525.677 4.326 50 10 KICARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000017306819 553592799 /nfs/dbraw/zinc/59/27/99/553592799.db2.gz OVLGWYCLMFOZST-ALFKQNEGSA-N 0 0 525.677 4.326 50 10 KICARN CCCCCOC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)OCCCCC)C2=O)SC1=S ZINC000017595863 553598471 /nfs/dbraw/zinc/59/84/71/553598471.db2.gz ZRBBKTNDLCLMLT-ISLYRVAYSA-N 0 0 546.758 4.166 50 10 KICARN CCCCOC(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)OCCCC)C2=O)SC1=S ZINC000017596066 553598801 /nfs/dbraw/zinc/59/88/01/553598801.db2.gz WKFAYNMFGPXVRK-ISLYRVAYSA-N 0 0 546.758 4.166 50 10 KICARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Cl)cc2)OC32C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000017821315 553599988 /nfs/dbraw/zinc/59/99/88/553599988.db2.gz VLTDOEGPIAJZCF-VABKMULXSA-N 0 0 517.921 4.052 50 10 KICARN CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]32)cc1 ZINC000017968444 553600744 /nfs/dbraw/zinc/60/07/44/553600744.db2.gz QEPAUKLNPDFOAU-XPWALMASSA-N 0 0 529.932 4.212 50 10 KICARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1cccc(C)c1)OC21C(=O)c2ccccc2C1=O ZINC000017994484 553601446 /nfs/dbraw/zinc/60/14/46/553601446.db2.gz OYLSGWYWXMSVDU-VABKMULXSA-N 0 0 501.922 4.352 50 10 KICARN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)cc1 ZINC000018059178 553602420 /nfs/dbraw/zinc/60/24/20/553602420.db2.gz OSUSIQUUWVKDAT-UYRXBGFRSA-N 0 0 533.484 4.119 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000018067608 553603114 /nfs/dbraw/zinc/60/31/14/553603114.db2.gz LFOATGZJQMODDA-NJYVYQBISA-N 0 0 547.317 4.052 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@H]12 ZINC000018067957 553603023 /nfs/dbraw/zinc/60/30/23/553603023.db2.gz DPRQIIZNCASZHQ-HKBOAZHASA-N 0 0 520.310 4.283 50 10 KICARN COc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000018115816 553604751 /nfs/dbraw/zinc/60/47/51/553604751.db2.gz UKTNVCORPVFHQM-FSSWDIPSSA-N 0 0 532.346 4.153 50 10 KICARN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000018120356 553605126 /nfs/dbraw/zinc/60/51/26/553605126.db2.gz AUDIHLFGQUCBRC-VJBWXMMDSA-N 0 0 529.932 4.212 50 10 KICARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 ZINC000018122593 553605445 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/nfs/dbraw/zinc/60/75/97/553607597.db2.gz GIYLVLPDUNYKTQ-FZMXLXIHSA-N 0 0 506.968 4.069 50 10 KICARN CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=N)N21 ZINC000020206844 553607615 /nfs/dbraw/zinc/60/76/15/553607615.db2.gz FIGQEZZNKOSKBM-VBPVLXCYSA-N 0 0 506.968 4.069 50 10 KICARN CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4C)c(Cl)c3)C(=N)N21 ZINC000020206847 553607778 /nfs/dbraw/zinc/60/77/78/553607778.db2.gz XBEKSZMWACTJBE-KMFLQCEESA-N 0 0 503.005 4.239 50 10 KICARN CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C(=N)N21 ZINC000020206851 553607725 /nfs/dbraw/zinc/60/77/25/553607725.db2.gz FPNAFTIXQXZCIF-KMFLQCEESA-N 0 0 503.005 4.239 50 10 KICARN CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=N)N21 ZINC000020206901 553607773 /nfs/dbraw/zinc/60/77/73/553607773.db2.gz BKOOBWFEGQXNDF-HZTCEOFUSA-N 0 0 509.535 4.124 50 10 KICARN CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)cc1 ZINC000020207160 553608148 /nfs/dbraw/zinc/60/81/48/553608148.db2.gz DUCPYJOXDPQXGJ-YHRCQRQKSA-N 0 0 513.645 4.140 50 10 KICARN CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c1C ZINC000020207167 553608127 /nfs/dbraw/zinc/60/81/27/553608127.db2.gz BLNTVNXZRAEPLJ-JLFKZYKSSA-N 0 0 513.645 4.140 50 10 KICARN CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1 ZINC000020207270 553608236 /nfs/dbraw/zinc/60/82/36/553608236.db2.gz RTARSMKHPGMMLX-JLFKZYKSSA-N 0 0 512.613 4.064 50 10 KICARN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=N)S1 ZINC000020207650 553608575 /nfs/dbraw/zinc/60/85/75/553608575.db2.gz ZWKRKKLWAJRSHL-LQKPDRLUSA-N 0 0 509.396 4.194 50 10 KICARN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=N)S1 ZINC000020207765 553608616 /nfs/dbraw/zinc/60/86/16/553608616.db2.gz UXCAUGVIWIVVKR-FCASDSMHSA-N 0 0 509.396 4.194 50 10 KICARN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4c(Cl)cccc4Cl)cc3)C2=N)S1 ZINC000020207768 553608770 /nfs/dbraw/zinc/60/87/70/553608770.db2.gz KRUQXUUHNUSHMW-GDGNHNJGSA-N 0 0 509.396 4.194 50 10 KICARN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=N)S1 ZINC000020208021 553609136 /nfs/dbraw/zinc/60/91/36/553609136.db2.gz JDSUNUKKVKBTGZ-QNHLIMGLSA-N 0 0 509.396 4.194 50 10 KICARN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=N)S1 ZINC000020208036 553609111 /nfs/dbraw/zinc/60/91/11/553609111.db2.gz GYRWOFAVEMCSDF-FCASDSMHSA-N 0 0 509.396 4.194 50 10 KICARN CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000020208181 553609140 /nfs/dbraw/zinc/60/91/40/553609140.db2.gz OUECNPFFKXDSID-HBFLSEMUSA-N 0 0 512.613 4.237 50 10 KICARN CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 ZINC000020208184 553609114 /nfs/dbraw/zinc/60/91/14/553609114.db2.gz OUECNPFFKXDSID-DUUBSPRGSA-N 0 0 512.613 4.237 50 10 KICARN CCOc1cc(/C=C2/C(=O)N=C3SC(C)=NN3C2=N)ccc1OCCOc1ccc(NC(C)=O)cc1 ZINC000020235153 553621427 /nfs/dbraw/zinc/62/14/27/553621427.db2.gz HCKYMEQHKUALOK-FEGZGKEQSA-N 0 0 507.572 4.141 50 10 KICARN CC(=O)Nc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)cc2)cc1 ZINC000020235171 553621461 /nfs/dbraw/zinc/62/14/61/553621461.db2.gz JOHDWSLFVXMXGG-JMSPFPEISA-N 0 0 515.551 4.363 50 10 KICARN CC(=O)Nc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 ZINC000020235204 553621429 /nfs/dbraw/zinc/62/14/29/553621429.db2.gz SGAJUJUIXHEJRN-XUHCONPKSA-N 0 0 517.489 4.284 50 10 KICARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000020236343 553623181 /nfs/dbraw/zinc/62/31/81/553623181.db2.gz XNUUSVBAIWGAMX-NMAPKEJLSA-N 0 0 513.304 4.395 50 10 KICARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccc(F)cc1 ZINC000020236679 553623492 /nfs/dbraw/zinc/62/34/92/553623492.db2.gz GCYCPOJSDSKBOX-MBRQZNNDSA-N 0 0 500.280 4.266 50 10 KICARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccccc1F ZINC000020236688 553623588 /nfs/dbraw/zinc/62/35/88/553623588.db2.gz ROEGXCDWNFHMBG-ARNWESCTSA-N 0 0 500.280 4.266 50 10 KICARN COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2Br)cc1OC ZINC000020236755 553623551 /nfs/dbraw/zinc/62/35/51/553623551.db2.gz SMOJQMGSRJOZNG-LQDTWPQUSA-N 0 0 512.316 4.136 50 10 KICARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1[N+](=O)[O-] ZINC000020236875 553623542 /nfs/dbraw/zinc/62/35/42/553623542.db2.gz QHLJWJCTDFKFEX-OGUWXHFSSA-N 0 0 513.304 4.395 50 10 KICARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000020236901 553623532 /nfs/dbraw/zinc/62/35/32/553623532.db2.gz SZRRRMMVGHWZHQ-FAINKHGOSA-N 0 0 512.316 4.216 50 10 KICARN COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000020289498 553634589 /nfs/dbraw/zinc/63/45/89/553634589.db2.gz AEUJOHISSHASTJ-NGOKVRLYSA-N 0 0 509.672 4.385 50 10 KICARN COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000020289502 553634677 /nfs/dbraw/zinc/63/46/77/553634677.db2.gz AEUJOHISSHASTJ-PIIWDFAUSA-N 0 0 509.672 4.385 50 10 KICARN COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000020289505 553634548 /nfs/dbraw/zinc/63/45/48/553634548.db2.gz AEUJOHISSHASTJ-MMTVBGGISA-N 0 0 509.672 4.385 50 10 KICARN COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000020289509 553634572 /nfs/dbraw/zinc/63/45/72/553634572.db2.gz AEUJOHISSHASTJ-WTYVLRPYSA-N 0 0 509.672 4.385 50 10 KICARN CCC(CC)C1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C2=N)S1 ZINC000020332151 553639763 /nfs/dbraw/zinc/63/97/63/553639763.db2.gz RVRPTDOPIBIQOW-TZDYEIAFSA-N 0 0 521.628 4.094 50 10 KICARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccccc2O)[NH2+][C@@]3(Cc2c[nH]c3ccccc23)C(=O)[O-])cc1C ZINC000020546456 553670934 /nfs/dbraw/zinc/67/09/34/553670934.db2.gz MTYRNJBYRTZUPC-VWDBNSKXSA-N 0 0 509.562 4.007 50 10 KICARN O=C([O-])[C@@]1(Cc2c[nH]c3ccccc23)[NH2+][C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000020547030 553670896 /nfs/dbraw/zinc/67/08/96/553670896.db2.gz RGTNXIYIQXCACV-IMBSWCNGSA-N 0 0 515.953 4.043 50 10 KICARN O=C([O-])[C@]1(Cc2c[nH]c3ccccc23)[NH2+][C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000020547032 553671005 /nfs/dbraw/zinc/67/10/05/553671005.db2.gz RGTNXIYIQXCACV-NLJXWPIHSA-N 0 0 515.953 4.043 50 10 KICARN COc1ccc(N2CCN(C(=O)C[C@H](c3ccc(OC)c(OC)c3)N3Cc4ccccc4C3=O)CC2)cc1 ZINC000020561282 553672586 /nfs/dbraw/zinc/67/25/86/553672586.db2.gz IPMFCMCAKAYWIU-AREMUKBSSA-N 0 0 515.610 4.148 50 10 KICARN COc1ccc(N2CCN(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)N3Cc4ccccc4C3=O)CC2)cc1 ZINC000020561284 553672565 /nfs/dbraw/zinc/67/25/65/553672565.db2.gz IPMFCMCAKAYWIU-SANMLTNESA-N 0 0 515.610 4.148 50 10 KICARN CN1C[C@H](c2ccco2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)N(C)c1ccc(Cl)cc12 ZINC000020572266 553674478 /nfs/dbraw/zinc/67/44/78/553674478.db2.gz OCHPSJZGZHFTPG-VEYWIMSWSA-N 0 0 514.028 4.226 50 10 KICARN CCN1CC[NH+](Cc2c([O-])ccc3c(-c4cc5cc(Br)ccc5oc4=O)cc(=O)oc32)CC1 ZINC000020611599 553679463 /nfs/dbraw/zinc/67/94/63/553679463.db2.gz RCAZFRAZCTXMQB-UHFFFAOYSA-N 0 0 511.372 4.172 50 10 biogenic KICARN CCN(CC)c1ccc(/C=C(\NC(=O)c2ccc(F)cc2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000020663098 553685938 /nfs/dbraw/zinc/68/59/38/553685938.db2.gz LLXCFZBXGLWROW-NUOPVWJPSA-N 0 0 528.628 4.250 50 10 biogenic KICARN COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)c4cccc(Cl)c4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000020663617 553686084 /nfs/dbraw/zinc/68/60/84/553686084.db2.gz DOSYQKXNACKLFX-UHFFFAOYSA-N 0 0 515.975 4.052 50 10 KICARN COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)c4ccccc4Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000020664139 553686118 /nfs/dbraw/zinc/68/61/18/553686118.db2.gz OTUCFFDVPOMODK-UHFFFAOYSA-N 0 0 515.975 4.052 50 10 KICARN CCOCCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020857868 553700230 /nfs/dbraw/zinc/70/02/30/553700230.db2.gz BPSKFGDIDYSGCZ-UHFFFAOYSA-N 0 0 500.555 4.433 50 10 KICARN COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000020900488 553701345 /nfs/dbraw/zinc/70/13/45/553701345.db2.gz PYHKDWLJRQORDA-UHFFFAOYSA-N 0 0 514.538 4.493 50 10 KICARN COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000020900496 553701293 /nfs/dbraw/zinc/70/12/93/553701293.db2.gz IEIJMQSZKZWGKD-UHFFFAOYSA-N 0 0 514.538 4.493 50 10 KICARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@@H](c2ccc(O)c(O)c2)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021659114 553716064 /nfs/dbraw/zinc/71/60/64/553716064.db2.gz KRPILABXPVPSCD-JOCHJYFZSA-N 0 0 500.942 4.274 50 10 KICARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@H](c2ccc(O)c(O)c2)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021659116 553715994 /nfs/dbraw/zinc/71/59/94/553715994.db2.gz KRPILABXPVPSCD-QFIPXVFZSA-N 0 0 500.942 4.274 50 10 KICARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@@H](c2ccc(O)cc2O)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021659117 553716041 /nfs/dbraw/zinc/71/60/41/553716041.db2.gz WKYBICACOAYLGV-JOCHJYFZSA-N 0 0 500.942 4.274 50 10 KICARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@H](c2ccc(O)cc2O)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021659119 553716011 /nfs/dbraw/zinc/71/60/11/553716011.db2.gz WKYBICACOAYLGV-QFIPXVFZSA-N 0 0 500.942 4.274 50 10 KICARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@@H](c2cccc(O)c2O)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021659121 553716070 /nfs/dbraw/zinc/71/60/70/553716070.db2.gz DIXTZDFZVPRYIK-OAQYLSRUSA-N 0 0 500.942 4.274 50 10 KICARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@H](c2cccc(O)c2O)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021659122 553715985 /nfs/dbraw/zinc/71/59/85/553715985.db2.gz DIXTZDFZVPRYIK-NRFANRHFSA-N 0 0 500.942 4.274 50 10 KICARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@@H](c2cc(O)ccc2O)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021659124 553715990 /nfs/dbraw/zinc/71/59/90/553715990.db2.gz IJFKESFSPKUZBM-JOCHJYFZSA-N 0 0 500.942 4.274 50 10 KICARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@H](c2cc(O)ccc2O)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021659126 553716074 /nfs/dbraw/zinc/71/60/74/553716074.db2.gz IJFKESFSPKUZBM-QFIPXVFZSA-N 0 0 500.942 4.274 50 10 KICARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(Cc2ccc(N(C)C)cc2)C3=O)cc1 ZINC000021855229 553718384 /nfs/dbraw/zinc/71/83/84/553718384.db2.gz FUYKRWHJGSRTAD-WJOKGBTCSA-N 0 0 523.637 4.356 50 10 KICARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(Cc2ccc(N(C)C)cc2)C3=O)cc1 ZINC000021855234 553718341 /nfs/dbraw/zinc/71/83/41/553718341.db2.gz FUYKRWHJGSRTAD-HKBQPEDESA-N 0 0 523.637 4.356 50 10 KICARN COc1ccc(N2CCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C(C)(C)C)C5)CC2)cc1 ZINC000021882622 553720466 /nfs/dbraw/zinc/72/04/66/553720466.db2.gz CXQRLZJXEOPPLU-SFHVURJKSA-N 0 0 508.688 4.426 50 10 KICARN COc1ccc(N2CCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C(C)(C)C)C5)CC2)cc1 ZINC000021882623 553720487 /nfs/dbraw/zinc/72/04/87/553720487.db2.gz CXQRLZJXEOPPLU-GOSISDBHSA-N 0 0 508.688 4.426 50 10 KICARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccccc1I ZINC000022064870 553725444 /nfs/dbraw/zinc/72/54/44/553725444.db2.gz DETHGPNTWOTHKS-YBEGLDIGSA-N 0 0 511.362 4.398 50 10 KICARN COc1cc(/C=C2/C(C)=NN(c3ccc(S(N)(=O)=O)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000022146602 553727384 /nfs/dbraw/zinc/72/73/84/553727384.db2.gz GGIFUHXPUUTBIV-MTJSOVHGSA-N 0 0 511.987 4.381 50 10 KICARN COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000022170820 553727432 /nfs/dbraw/zinc/72/74/32/553727432.db2.gz QXWLORWRLNBXJJ-DHDCSXOGSA-N 0 0 500.417 4.023 50 10 KICARN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000022170847 553727416 /nfs/dbraw/zinc/72/74/16/553727416.db2.gz PKBIUIGGHPUNGT-YBEGLDIGSA-N 0 0 514.444 4.413 50 10 KICARN O=c1oc2c(ccc([O-])c2C[NH+]2CCN(CCO)CC2)cc1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000022575684 553747193 /nfs/dbraw/zinc/74/71/93/553747193.db2.gz YPJFYNGLGKXNPR-UHFFFAOYSA-N 0 0 542.455 4.162 50 10 KICARN O=C1C(=CNCCN2CCOCC2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 ZINC000022921977 553767168 /nfs/dbraw/zinc/76/71/68/553767168.db2.gz 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RLPHSNAHCANCIZ-UHFFFAOYSA-N 0 0 502.434 4.003 50 10 KICARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000033058943 553904594 /nfs/dbraw/zinc/90/45/94/553904594.db2.gz ODRCIPXTVMFDKF-JLHYYAGUSA-N 0 0 526.634 4.076 50 10 KICARN CC(=O)N1CCC(C(=O)NCc2ccccc2)(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(C)cc2)CC1 ZINC000033068379 553905484 /nfs/dbraw/zinc/90/54/84/553905484.db2.gz TWDWDBBMESRMEL-UHFFFAOYSA-N 0 0 526.681 4.401 50 10 KICARN COc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000033155022 553911404 /nfs/dbraw/zinc/91/14/04/553911404.db2.gz SEFIWUBQMLZJNF-IAFWPLRWSA-N 0 0 522.652 4.004 50 10 KICARN COc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000033155023 553911401 /nfs/dbraw/zinc/91/14/01/553911401.db2.gz SEFIWUBQMLZJNF-UOIFGXKSSA-N 0 0 522.652 4.004 50 10 KICARN CCOC(=O)CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1 ZINC000033266844 553917583 /nfs/dbraw/zinc/91/75/83/553917583.db2.gz UZWUQIZCJFREHP-MHZLTWQESA-N 0 0 512.614 4.215 50 10 KICARN CCOC(=O)CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(N(C)C)cc1 ZINC000033266845 553917553 /nfs/dbraw/zinc/91/75/53/553917553.db2.gz UZWUQIZCJFREHP-HHHXNRCGSA-N 0 0 512.614 4.215 50 10 KICARN COc1ccc(N2CCN(c3nccnc3SCC(=O)Nc3ccc(OC)c(Cl)c3)CC2)cc1 ZINC000033292954 553920366 /nfs/dbraw/zinc/92/03/66/553920366.db2.gz NTIZTCRVNMRIEH-UHFFFAOYSA-N 0 0 500.024 4.205 50 10 KICARN COc1ccc(N2CCN(c3nccnc3SCC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1 ZINC000033292955 553920317 /nfs/dbraw/zinc/92/03/17/553920317.db2.gz RCSQEPHZAVWEDW-UHFFFAOYSA-N 0 0 500.024 4.205 50 10 KICARN COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccc(OC)c(Cl)c4)n3)CC2)cc1 ZINC000033309942 553920761 /nfs/dbraw/zinc/92/07/61/553920761.db2.gz DDNFCQWKIYVFJQ-UHFFFAOYSA-N 0 0 500.024 4.205 50 10 KICARN COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4cc(Cl)ccc4OC)n3)CC2)cc1 ZINC000033309943 553920635 /nfs/dbraw/zinc/92/06/35/553920635.db2.gz DQIJVECRTSIXQW-UHFFFAOYSA-N 0 0 500.024 4.205 50 10 KICARN COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000033321691 553920983 /nfs/dbraw/zinc/92/09/83/553920983.db2.gz LTIVRYYXKABWIP-LTGZKZEYSA-N 0 0 522.652 4.113 50 10 KICARN COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000033333053 553921046 /nfs/dbraw/zinc/92/10/46/553921046.db2.gz LOIOKXGBKLDXQV-AUWJEWJLSA-N 0 0 506.334 4.042 50 10 KICARN COc1cc(/C=C2\C(C)=NN(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCC(N)=O ZINC000033333987 553921546 /nfs/dbraw/zinc/92/15/46/553921546.db2.gz CHJIPEQGSPNEFJ-GIDUJCDVSA-N 0 0 512.282 4.147 50 10 KICARN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCCCC3)nc12 ZINC000033341282 553921875 /nfs/dbraw/zinc/92/18/75/553921875.db2.gz MHJGNGCZZCLYOG-FYJGNVAPSA-N 0 0 520.636 4.123 50 10 KICARN Cc1c(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000033344429 553921744 /nfs/dbraw/zinc/92/17/44/553921744.db2.gz MGWGILKJTZJEGJ-XMHGGMMESA-N 0 0 513.044 4.368 50 10 KICARN COC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(I)cc3)SC2=S)cc1 ZINC000033349409 553922182 /nfs/dbraw/zinc/92/21/82/553922182.db2.gz NLUDGBBWTFYJBP-MHWRWJLKSA-N 0 0 510.378 4.349 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000033353454 553925399 /nfs/dbraw/zinc/92/53/99/553925399.db2.gz HALYNTKEVFPDKW-ZGOFBEGVSA-N 0 0 572.643 4.123 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000033353455 553925465 /nfs/dbraw/zinc/92/54/65/553925465.db2.gz HALYNTKEVFPDKW-BIWBSIMWSA-N 0 0 572.643 4.123 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(Br)c1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 ZINC000033353557 553925977 /nfs/dbraw/zinc/92/59/77/553925977.db2.gz AOSXLTXVKBUZQN-PCCBWWKXSA-N 0 0 547.317 4.052 50 10 KICARN CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000033355293 553933965 /nfs/dbraw/zinc/93/39/65/553933965.db2.gz OPTJAKIZORNOMU-WQRHYEAKSA-N 0 0 531.344 4.071 50 10 KICARN O=C1/C(=C/c2c(=O)n3ccccc3nc2NCc2ccc3c(c2)OCO3)SC(=S)N1Cc1ccco1 ZINC000033355606 553935765 /nfs/dbraw/zinc/93/57/65/553935765.db2.gz SYFJVUZMEAGZGG-JAIQZWGSSA-N 0 0 518.576 4.030 50 10 KICARN CC(=O)N1N=C(c2ccc(I)o2)O[C@H]1/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 ZINC000033355859 553937588 /nfs/dbraw/zinc/93/75/88/553937588.db2.gz VIJQSKYTMZHSNT-GCNVJJAOSA-N 0 0 570.387 4.288 50 10 KICARN CC(=O)N1N=C(c2ccc(I)o2)O[C@@H]1/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 ZINC000033355860 553937618 /nfs/dbraw/zinc/93/76/18/553937618.db2.gz VIJQSKYTMZHSNT-AUCVXZHOSA-N 0 0 570.387 4.288 50 10 KICARN COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 ZINC000033356121 553939322 /nfs/dbraw/zinc/93/93/22/553939322.db2.gz PDYUYZCPFXLHBI-QNBSHATCSA-N 0 0 521.374 4.210 50 10 KICARN CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=N)N21 ZINC000033356307 553940274 /nfs/dbraw/zinc/94/02/74/553940274.db2.gz PSABHIIFJUSIHX-OSIMKLFKSA-N 0 0 521.418 4.357 50 10 KICARN COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(NC(C)=O)cc1 ZINC000033356350 553940956 /nfs/dbraw/zinc/94/09/56/553940956.db2.gz VLOJPBCAIBFLQO-FMFPOINMSA-N 0 0 527.990 4.404 50 10 KICARN COc1cc(/C=C2/C(C)=NN(c3ccc(S(N)(=O)=O)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000033358517 553956301 /nfs/dbraw/zinc/95/63/01/553956301.db2.gz LGADFVWORRVQSW-MTJSOVHGSA-N 0 0 556.438 4.490 50 10 KICARN Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 ZINC000033363041 553957539 /nfs/dbraw/zinc/95/75/39/553957539.db2.gz PTSCWIIUAVTCBT-CIAFOILYSA-N 0 0 520.636 4.123 50 10 KICARN CCN1c2ccc(S(=O)(=O)N3CCOCC3)cc2/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000033592459 553963811 /nfs/dbraw/zinc/96/38/11/553963811.db2.gz BPFKVJMIJRRDMM-YZSQISJMSA-N 0 0 505.640 4.331 50 10 KICARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000033592463 553963803 /nfs/dbraw/zinc/96/38/03/553963803.db2.gz YRAAEFIRCRQLPP-PCLIKHOPSA-N 0 0 509.603 4.161 50 10 KICARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000033592465 553963849 /nfs/dbraw/zinc/96/38/49/553963849.db2.gz VCXNCQYEZKMKOC-YZSQISJMSA-N 0 0 521.639 4.031 50 10 KICARN CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\N1CCN(/C=C2\C(=O)N(c3ccc(C)cc3C)N=C2C)CC1 ZINC000033744584 553971814 /nfs/dbraw/zinc/97/18/14/553971814.db2.gz YXQHRSFPAXBOKJ-MFYXSQMNSA-N 0 0 510.642 4.451 50 10 KICARN COC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2OC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000033794747 553974046 /nfs/dbraw/zinc/97/40/46/553974046.db2.gz PCOLEOKCAUWMCO-DSNGMDLFSA-N 0 0 525.557 4.319 50 10 biogenic KICARN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2cc(OC)ccc2OC)[C@]12C(=O)Nc1ccccc12 ZINC000034262427 553981243 /nfs/dbraw/zinc/98/12/43/553981243.db2.gz PCBLPBFRJXVKJK-KWYVSSJISA-N 0 0 524.573 4.275 50 10 biogenic KICARN CN(C)c1ccc(CN2CCN(Cc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)co3)CC2)cc1 ZINC000034678007 553983870 /nfs/dbraw/zinc/98/38/70/553983870.db2.gz HGNOYBJONWQGTC-UHFFFAOYSA-N 0 0 501.553 4.007 50 10 KICARN COc1ccc(/C=C2/SC(=S)N(CC(=O)OCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000034707251 553993667 /nfs/dbraw/zinc/99/36/67/553993667.db2.gz JHLUPOBNWQPCHF-UBKPWBPPSA-N 0 0 511.408 4.385 50 10 KICARN COC(=O)[C@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000034720867 553996248 /nfs/dbraw/zinc/99/62/48/553996248.db2.gz WNRPPOKGKWYFDD-UODIDJSMSA-N 0 0 525.557 4.319 50 10 biogenic KICARN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCC(N)=O ZINC000034869061 554022302 /nfs/dbraw/zinc/02/23/02/554022302.db2.gz HULZABRTPFNDRY-XDHOZWIPSA-N 0 0 506.356 4.156 50 10 KICARN COc1ccc(OC)c(NC(=O)COC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1 ZINC000035229352 554041872 /nfs/dbraw/zinc/04/18/72/554041872.db2.gz PKJNYZSACQNMNP-VMGASSTCSA-N 0 0 512.609 4.033 50 10 KICARN Cc1ccc(CN2C(=O)/C(=C\c3c(=O)n4cccc(C)c4nc3N3C[C@@H](C)O[C@@H](C)C3)SC2=S)cc1 ZINC000035343395 554043888 /nfs/dbraw/zinc/04/38/88/554043888.db2.gz UHYAQIVTQDGDKM-YRSFKCCTSA-N 0 0 520.680 4.326 50 10 KICARN Cc1ccc(CN2C(=O)/C(=C\c3c(=O)n4cccc(C)c4nc3N3C[C@@H](C)O[C@H](C)C3)SC2=S)cc1 ZINC000035343398 554043861 /nfs/dbraw/zinc/04/38/61/554043861.db2.gz UHYAQIVTQDGDKM-SAMJQPSXSA-N 0 0 520.680 4.326 50 10 KICARN COc1cc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000035387558 554047288 /nfs/dbraw/zinc/04/72/88/554047288.db2.gz AHXRZZAMWIGREZ-PBGVMVHZSA-N 0 0 500.554 4.203 50 10 KICARN COc1cc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000035387560 554047262 /nfs/dbraw/zinc/04/72/62/554047262.db2.gz AHXRZZAMWIGREZ-MLHZQLSASA-N 0 0 500.554 4.203 50 10 KICARN CN1c2ccc(Cl)cc2[C@@]2(C1=O)N(C)C[C@H](c1ccco1)[C@@]21SC(=S)N(Cc2ccco2)C1=O ZINC000035808795 554077213 /nfs/dbraw/zinc/07/72/13/554077213.db2.gz OCHPSJZGZHFTPG-CQLNOVPUSA-N 0 0 514.028 4.226 50 10 KICARN CN1c2ccc(Cl)cc2[C@@]2(C1=O)N(C)C[C@@H](c1ccco1)[C@@]21SC(=S)N(Cc2ccco2)C1=O ZINC000035808797 554077122 /nfs/dbraw/zinc/07/71/22/554077122.db2.gz OCHPSJZGZHFTPG-DPSWKAHMSA-N 0 0 514.028 4.226 50 10 KICARN COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(F)cc1)C(=O)Nc1ccccc1OC ZINC000035963303 554111481 /nfs/dbraw/zinc/11/14/81/554111481.db2.gz VGESUAJNAJEMKR-DEOSSOPVSA-N 0 0 507.566 4.031 50 10 KICARN COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccccc1OC ZINC000035963305 554111546 /nfs/dbraw/zinc/11/15/46/554111546.db2.gz VGESUAJNAJEMKR-XMMPIXPASA-N 0 0 507.566 4.031 50 10 KICARN CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2OC)c(OS(=O)(=O)CC)c1 ZINC000036009036 554132521 /nfs/dbraw/zinc/13/25/21/554132521.db2.gz HFYFTRKRKKODAF-QFIPXVFZSA-N 0 0 519.664 4.483 50 10 KICARN CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccccc2OC)c(OS(=O)(=O)CC)c1 ZINC000036009038 554132494 /nfs/dbraw/zinc/13/24/94/554132494.db2.gz HFYFTRKRKKODAF-JOCHJYFZSA-N 0 0 519.664 4.483 50 10 KICARN COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)NC[C@@H]5CCCO5)c4)n3)CC2)cc1 ZINC000036053866 554158720 /nfs/dbraw/zinc/15/87/20/554158720.db2.gz HIUCUXIAVYHSAJ-SANMLTNESA-N 0 0 533.698 4.321 50 10 KICARN COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)NC[C@H]5CCCO5)c4)n3)CC2)cc1 ZINC000036053867 554158747 /nfs/dbraw/zinc/15/87/47/554158747.db2.gz HIUCUXIAVYHSAJ-AREMUKBSSA-N 0 0 533.698 4.321 50 10 KICARN COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCC3CC3)cc2)n1 ZINC000036053902 554159050 /nfs/dbraw/zinc/15/90/50/554159050.db2.gz JMERBUAQUIDXEN-UHFFFAOYSA-N 0 0 533.698 4.390 50 10 KICARN COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000036053903 554159020 /nfs/dbraw/zinc/15/90/20/554159020.db2.gz VLYLEVPYVNVKQH-UHFFFAOYSA-N 0 0 533.698 4.487 50 10 KICARN COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2cccc(C(=O)NC3CC3)c2)n1 ZINC000036061622 554161704 /nfs/dbraw/zinc/16/17/04/554161704.db2.gz JPJNNQDLQRJOHS-UHFFFAOYSA-N 0 0 519.671 4.143 50 10 KICARN COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2cccc(C(=O)N3CCCC3)c2)n1 ZINC000036061624 554161707 /nfs/dbraw/zinc/16/17/07/554161707.db2.gz YMNJQKCWUZJCLL-UHFFFAOYSA-N 0 0 533.698 4.487 50 10 KICARN CCN(C)C(=O)c1cccc(CSc2nc(COC)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)c1 ZINC000036061625 554161722 /nfs/dbraw/zinc/16/17/22/554161722.db2.gz YMNXMHTUSLWIKJ-UHFFFAOYSA-N 0 0 521.687 4.342 50 10 KICARN COCCNC(=O)c1cccc(CSc2nc(C)c(C)c(N3CCN(c4ccc(OC)cc4)CC3)n2)c1 ZINC000036064111 554162978 /nfs/dbraw/zinc/16/29/78/554162978.db2.gz BKCAWFKSRXWHCR-UHFFFAOYSA-N 0 0 521.687 4.097 50 10 KICARN COc1ccc(N2CCN(c3nc(SCc4cccc(C(=O)N5CCOCC5)c4)nc(C)c3C)CC2)cc1 ZINC000036064117 554162918 /nfs/dbraw/zinc/16/29/18/554162918.db2.gz SCGYPYMZKJTCGM-UHFFFAOYSA-N 0 0 533.698 4.193 50 10 KICARN COCCNC(=O)c1ccc(CSc2nc(C)c(C)c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 ZINC000036064156 554163223 /nfs/dbraw/zinc/16/32/23/554163223.db2.gz VCBAAMNJBCUDHG-UHFFFAOYSA-N 0 0 521.687 4.097 50 10 KICARN COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)N5CCOCC5)cc4)nc(C)c3C)CC2)cc1 ZINC000036064162 554163307 /nfs/dbraw/zinc/16/33/07/554163307.db2.gz XVMDOFKFEMRKSC-UHFFFAOYSA-N 0 0 533.698 4.193 50 10 KICARN COc1ccc(N2CCN(C(=O)c3ccccc3N3CCC(NC(=O)C4CCCCC4)CC3)CC2)cc1 ZINC000037277170 554233088 /nfs/dbraw/zinc/23/30/88/554233088.db2.gz RQUZODPJECFWKT-UHFFFAOYSA-N 0 0 504.675 4.323 50 10 KICARN CCN(CC)c1ccc(CN(CCOC)C(=O)NC(C)(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037422920 554243517 /nfs/dbraw/zinc/24/35/17/554243517.db2.gz QHUQYRXJMTXAAP-UHFFFAOYSA-N 0 0 521.680 4.266 50 10 KICARN CCN(CC)c1ccc(CN(CCOC)C(=O)C2CCC2)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037423049 554243454 /nfs/dbraw/zinc/24/34/54/554243454.db2.gz JCOQWNSEACRDQT-UHFFFAOYSA-N 0 0 504.649 4.084 50 10 KICARN CCN(CC)c1ccc(CN(C(=O)C(C)C)C2CC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000037423107 554243469 /nfs/dbraw/zinc/24/34/69/554243469.db2.gz NPBGQWFOBDMGJZ-UHFFFAOYSA-N 0 0 501.649 4.406 50 10 KICARN CCN(CC)c1ccc(CN(CCOC)C(=O)c2ccco2)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037423655 554243769 /nfs/dbraw/zinc/24/37/69/554243769.db2.gz DOFMTJWERUTIFY-UHFFFAOYSA-N 0 0 516.616 4.191 50 10 KICARN CCN(CC)c1ccc(CN(C(=O)NC(C)C)C2CC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000037423750 554243954 /nfs/dbraw/zinc/24/39/54/554243954.db2.gz RQKAHLDHYGSWQF-UHFFFAOYSA-N 0 0 516.664 4.341 50 10 KICARN CCN(CC)c1ccc(CN(CCOC)C(=O)CC(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037423990 554243904 /nfs/dbraw/zinc/24/39/04/554243904.db2.gz MWKFNVVQMPFNRR-UHFFFAOYSA-N 0 0 506.665 4.330 50 10 KICARN Cc1ccc(CN2C(=O)/C(=C\c3c(=O)n4cccc(C)c4nc3N3C[C@H](C)O[C@@H](C)C3)SC2=S)cc1 ZINC000039716386 554279985 /nfs/dbraw/zinc/27/99/85/554279985.db2.gz UHYAQIVTQDGDKM-FHSMEVGFSA-N 0 0 520.680 4.326 50 10 KICARN C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 ZINC000039729241 554280039 /nfs/dbraw/zinc/28/00/39/554280039.db2.gz BHUFZMNJPDMBMP-SVZNOHIVSA-N 0 0 520.636 4.061 50 10 KICARN C[C@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 ZINC000039729243 554280024 /nfs/dbraw/zinc/28/00/24/554280024.db2.gz BHUFZMNJPDMBMP-GKXUUXLPSA-N 0 0 520.636 4.061 50 10 KICARN COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(OC)c(Cl)c4)ncn3)CC2)cc1 ZINC000049006847 554322884 /nfs/dbraw/zinc/32/28/84/554322884.db2.gz OYIZECLOHWQZEE-UHFFFAOYSA-N 0 0 500.024 4.205 50 10 KICARN COc1ccc(N2CCN(c3cc(SCC(=O)Nc4cc(Cl)ccc4OC)ncn3)CC2)cc1 ZINC000049006849 554322841 /nfs/dbraw/zinc/32/28/41/554322841.db2.gz JXYCJOOGBHQXQJ-UHFFFAOYSA-N 0 0 500.024 4.205 50 10 KICARN COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000057015874 554352085 /nfs/dbraw/zinc/35/20/85/554352085.db2.gz XYYBPNFJZVZWQP-SIBVEZHUSA-N 0 0 525.671 4.464 50 10 KICARN COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000057015875 554351984 /nfs/dbraw/zinc/35/19/84/554351984.db2.gz XYYBPNFJZVZWQP-BCHFMIIMSA-N 0 0 525.671 4.464 50 10 KICARN COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000057015876 554351962 /nfs/dbraw/zinc/35/19/62/554351962.db2.gz XYYBPNFJZVZWQP-AFMDSPMNSA-N 0 0 525.671 4.464 50 10 KICARN COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000057015878 554352093 /nfs/dbraw/zinc/35/20/93/554352093.db2.gz XYYBPNFJZVZWQP-NIYFSFCBSA-N 0 0 525.671 4.464 50 10 KICARN COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)c1 ZINC000058986900 554371500 /nfs/dbraw/zinc/37/15/00/554371500.db2.gz WBGKNMGJMDJQDT-WUXVYIAASA-N 0 0 529.578 4.224 50 10 KICARN CCOc1ccccc1N(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)S(=O)(=O)c1ccc(SC)cc1 ZINC000059630819 554416386 /nfs/dbraw/zinc/41/63/86/554416386.db2.gz LGHQNLFKFAWSFB-UHFFFAOYSA-N 0 0 555.722 4.360 50 10 KICARN COc1ccc(N2CCN(C(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000059647134 554417756 /nfs/dbraw/zinc/41/77/56/554417756.db2.gz GVZCYTFDIDROAG-UHFFFAOYSA-N 0 0 558.498 4.310 50 10 KICARN COc1ccc(N2CCN(C(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000059647142 554417733 /nfs/dbraw/zinc/41/77/33/554417733.db2.gz QWLPVVDHWLHPRJ-UHFFFAOYSA-N 0 0 544.073 4.210 50 10 KICARN COc1ccc(CCN2C(=O)/C(=C/c3c(=O)n4cccc(C)c4nc3NCCCn3ccnc3)SC2=S)cc1OC ZINC000059821363 554431289 /nfs/dbraw/zinc/43/12/89/554431289.db2.gz DCCYTTOCUJDZLH-ULJHMMPZSA-N 0 0 590.731 4.163 50 10 KICARN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4cccc([N+](=O)[O-])c4)s3)C2=O)cc1OC ZINC000059821599 554431351 /nfs/dbraw/zinc/43/13/51/554431351.db2.gz CLPGTUFEYLICCW-JAIQZWGSSA-N 0 0 556.647 4.499 50 10 KICARN COc1ccc2c(c1)c(/C=C/c1nc3ccc(I)cc3c(=O)n1CCCO)c(C)n2C ZINC000059901639 554472663 /nfs/dbraw/zinc/47/26/63/554472663.db2.gz ZWFGRBQBPAIPKE-JXMROGBWSA-N 0 0 529.378 4.363 50 10 KICARN COc1ccc(N2CCN(C(=O)CC/C(C)=C/Cc3c(OC)c4c(c(C)c3OC)COC4=O)CC2)cc1 ZINC000062001694 554506353 /nfs/dbraw/zinc/50/63/53/554506353.db2.gz AJFIQMOTCUBOCY-KPSZGOFPSA-N 0 0 508.615 4.309 50 10 biogenic KICARN O=C1c2ccccc2-c2onc3c2c1c(NCCO)cc3N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000063490357 554509632 /nfs/dbraw/zinc/50/96/32/554509632.db2.gz MKEQDTJCZVZROT-UHFFFAOYSA-N 0 0 519.001 4.298 50 10 KICARN COc1cccc(-n2c(=O)[nH]c3c2[C@@H](c2cc(OC)c(O)c(O)c2OC)c2cnn(C(C)(C)C)c2N3)c1 ZINC000066091702 554528235 /nfs/dbraw/zinc/52/82/35/554528235.db2.gz ZPZAELBLQZMXRW-RBUKOAKNSA-N 0 0 507.547 4.040 50 10 KICARN COc1cccc(-n2c(=O)[nH]c3c2[C@H](c2cc(OC)c(O)c(O)c2OC)c2cnn(C(C)(C)C)c2N3)c1 ZINC000066091703 554528187 /nfs/dbraw/zinc/52/81/87/554528187.db2.gz ZPZAELBLQZMXRW-RTBURBONSA-N 0 0 507.547 4.040 50 10 KICARN COc1cccc(-n2c(=O)[nH]c3c2[C@@H](c2cc(OC)c(O)c(O)c2OC)c2cnn(C(C)(C)C)c2N3)c1 ZINC000066091704 554528232 /nfs/dbraw/zinc/52/82/32/554528232.db2.gz ZPZAELBLQZMXRW-OALUTQOASA-N 0 0 507.547 4.040 50 10 KICARN COc1cccc(-n2c(=O)[nH]c3c2[C@H](c2cc(OC)c(O)c(O)c2OC)c2cnn(C(C)(C)C)c2N3)c1 ZINC000066091705 554528242 /nfs/dbraw/zinc/52/82/42/554528242.db2.gz ZPZAELBLQZMXRW-MOPGFXCFSA-N 0 0 507.547 4.040 50 10 KICARN COc1ccc(N2CCN(C(=O)CSc3nc4ccsc4c(=O)n3Cc3ccccc3F)CC2)cc1 ZINC000067689915 554533699 /nfs/dbraw/zinc/53/36/99/554533699.db2.gz CCZYHHWGOSXISR-UHFFFAOYSA-N 0 0 524.643 4.095 50 10 KICARN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12 ZINC000070672389 553602129 /nfs/dbraw/zinc/60/21/29/553602129.db2.gz MHZHCDFGVJPVLG-XVUPITKPSA-N 0 0 554.599 4.283 50 10 biogenic KICARN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccc(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12 ZINC000070672417 553602018 /nfs/dbraw/zinc/60/20/18/553602018.db2.gz ZOBFHNYEIRCFPU-NLOYNPKYSA-N 0 0 524.573 4.275 50 10 biogenic KICARN CCOC(=O)c1c(CS(=O)(=O)c2ccccc2)n(C)c2cc(-c3cccnc3)c([O-])c(C[NH+](C)C)c21 ZINC000085392412 553678896 /nfs/dbraw/zinc/67/88/96/553678896.db2.gz MFTZETFOLWIEQS-UHFFFAOYSA-N 0 0 507.612 4.158 50 10 KICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/N1CCN(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)CC1 ZINC000095470903 571361020 /nfs/dbraw/zinc/36/10/20/571361020.db2.gz BFMXPVYQWQYTDF-XUIWWLCJSA-N 0 0 510.642 4.451 50 10 KICARN Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)c1 ZINC000095498611 553702556 /nfs/dbraw/zinc/70/25/56/553702556.db2.gz CEAJVYIEGZCGCK-FSSWDIPSSA-N 0 0 516.347 4.453 50 10 KICARN Cc1cc(/C=C2\C(=O)Nc3ccccc32)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000096022294 553720646 /nfs/dbraw/zinc/72/06/46/553720646.db2.gz GTILDKNFCKJJKO-BWAHOGKJSA-N 0 0 532.666 4.208 50 10 KICARN CCN(CC)c1ccc(CN(C(=O)COC)C2CC2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096290295 553743425 /nfs/dbraw/zinc/74/34/25/553743425.db2.gz WITRELCEXZADEU-UHFFFAOYSA-N 0 0 514.566 4.457 50 10 KICARN CCN(CC)c1ccc(CN(CCOC)C(C)=O)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096290297 553743331 /nfs/dbraw/zinc/74/33/31/553743331.db2.gz URJIBBSSUMUSHT-UHFFFAOYSA-N 0 0 502.555 4.314 50 10 KICARN CCNC(=O)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)CC1CC1 ZINC000096292312 553746235 /nfs/dbraw/zinc/74/62/35/553746235.db2.gz AROAJENLTSBWRK-UHFFFAOYSA-N 0 0 516.664 4.200 50 10 KICARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Br)cc2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000096298821 553748759 /nfs/dbraw/zinc/74/87/59/553748759.db2.gz VUAMWUGAEXTRGG-FKBYEOEOSA-N 0 0 516.347 4.453 50 10 KICARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Br)cc2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000096298822 553748817 /nfs/dbraw/zinc/74/88/17/553748817.db2.gz VUAMWUGAEXTRGG-FDFHNCONSA-N 0 0 516.347 4.453 50 10 KICARN CC1(C)O[C@@H]2O[C@H](Cc3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)[C@@](C)(OCc3ccccc3)[C@@H]2O1 ZINC000096581922 553756430 /nfs/dbraw/zinc/75/64/30/553756430.db2.gz BIVCHQIPWNAXLK-GSNXVLNOSA-N 0 0 516.546 4.268 50 10 KICARN CC1(C)O[C@H]2[C@@H](O[C@H](Cc3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)[C@@]2(C)OCc2ccccc2)O1 ZINC000096581924 553756382 /nfs/dbraw/zinc/75/63/82/553756382.db2.gz BIVCHQIPWNAXLK-JOPQPDRSSA-N 0 0 516.546 4.268 50 10 KICARN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc1 ZINC000097441794 553758522 /nfs/dbraw/zinc/75/85/22/553758522.db2.gz WIZMEMGUYYMQNX-ARFHJRQPSA-N 0 0 508.606 4.492 50 10 KICARN Cc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(I)cc2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000097944191 553768728 /nfs/dbraw/zinc/76/87/28/553768728.db2.gz RKMGYIRQIVYSRR-VABKMULXSA-N 0 0 577.374 4.290 50 10 KICARN Cc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(I)cc2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000097944193 553768667 /nfs/dbraw/zinc/76/86/67/553768667.db2.gz RKMGYIRQIVYSRR-RJGXRXQPSA-N 0 0 577.374 4.290 50 10 KICARN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 ZINC000097944421 553769286 /nfs/dbraw/zinc/76/92/86/553769286.db2.gz CNJHRYKRTRAISQ-HYARGMPZSA-N 0 0 564.392 4.174 50 10 KICARN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)SC1=S)Nc1ccc(O)cc1 ZINC000097945889 553775203 /nfs/dbraw/zinc/77/52/03/553775203.db2.gz IYHAIELRDSDUJN-QURGRASLSA-N 0 0 616.768 4.168 50 10 KICARN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCN3CCN(C(=O)CCN4C(=O)/C(=C/c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1 ZINC000097945902 553775389 /nfs/dbraw/zinc/77/53/89/553775389.db2.gz JTGQMSBHUJZORY-PLNZPELQSA-N 0 0 707.969 4.447 50 10 KICARN Cc1ccc(CN2C(=O)/C(=C/c3c(=O)n4ccccc4nc3N3CCN(Cc4ccc5c(c4)OCO5)CC3)SC2=S)cc1 ZINC000097946173 553777146 /nfs/dbraw/zinc/77/71/46/553777146.db2.gz ODBIDOAZIVVCSN-PKAZHMFMSA-N 0 0 611.749 4.455 50 10 KICARN COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)CC2)cc1 ZINC000097946175 553777175 /nfs/dbraw/zinc/77/71/75/553777175.db2.gz IYRRTOBRKNDWOG-PKAZHMFMSA-N 0 0 627.748 4.468 50 10 KICARN COCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(c3cccc(Cl)c3)CC2)SC1=S ZINC000097946210 553777450 /nfs/dbraw/zinc/77/74/50/553777450.db2.gz OTOBROQKEKKDNI-XLNRJJMWSA-N 0 0 570.140 4.221 50 10 KICARN COc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)C2=O)cc1 ZINC000097946375 553778789 /nfs/dbraw/zinc/77/87/89/553778789.db2.gz LFKZEURPENWKKS-RFBIWTDZSA-N 0 0 611.705 4.254 50 10 KICARN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000097946409 553779228 /nfs/dbraw/zinc/77/92/28/553779228.db2.gz UBQLZSZQWMMZDX-VPHSIRQSSA-N 0 0 591.730 4.215 50 10 KICARN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000097946410 553779251 /nfs/dbraw/zinc/77/92/51/553779251.db2.gz UBQLZSZQWMMZDX-YVBHXKDBSA-N 0 0 591.730 4.215 50 10 KICARN COCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000097946412 553779246 /nfs/dbraw/zinc/77/92/46/553779246.db2.gz WBEVSUHRTHLCJA-QJOMJCCJSA-N 0 0 534.707 4.310 50 10 KICARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1C ZINC000097946438 553779235 /nfs/dbraw/zinc/77/92/35/553779235.db2.gz PXOBGOCMECCKEY-ZWAQGKOVSA-N 0 0 525.677 4.245 50 10 KICARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1C ZINC000097946439 553779278 /nfs/dbraw/zinc/77/92/78/553779278.db2.gz PXOBGOCMECCKEY-CWGWECIMSA-N 0 0 525.677 4.245 50 10 KICARN COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(CC(=O)NCc4ccccc4)C3=O)SC2=S)cc1OC ZINC000097946548 553780323 /nfs/dbraw/zinc/78/03/23/553780323.db2.gz CFROXLMFDGPZIO-RQZHXJHFSA-N 0 0 573.696 4.181 50 10 KICARN COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(CC(=O)NCc4ccccc4)C3=O)SC2=S)cc1 ZINC000097946549 553780256 /nfs/dbraw/zinc/78/02/56/553780256.db2.gz UJZISNOUUVHHSV-QPLCGJKRSA-N 0 0 543.670 4.172 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000097946569 553780299 /nfs/dbraw/zinc/78/02/99/553780299.db2.gz GVVLWNDSOMFLEK-BNDVRQRFSA-N 0 0 582.151 4.363 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000097946570 553780281 /nfs/dbraw/zinc/78/02/81/553780281.db2.gz GVVLWNDSOMFLEK-RGNNIMSVSA-N 0 0 582.151 4.363 50 10 KICARN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)SC(=S)N1Cc1ccccc1 ZINC000097946571 553780314 /nfs/dbraw/zinc/78/03/14/553780314.db2.gz PMCGLOWVBLWPMQ-ONUIUJJFSA-N 0 0 597.722 4.147 50 10 KICARN COc1ccc(CN2C(=O)/C(=C/c3c(=O)n4ccccc4nc3N3CCN(c4ccc(OC)cc4)CC3)SC2=S)cc1 ZINC000097946682 553781137 /nfs/dbraw/zinc/78/11/37/553781137.db2.gz ZZBPMESRNLTUDS-XHPQRKPJSA-N 0 0 599.738 4.440 50 10 KICARN COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3\SC(=S)N(Cc4ccccc4)C3=O)CC2)cc1 ZINC000097946684 553781086 /nfs/dbraw/zinc/78/10/86/553781086.db2.gz OJRSNVRGZGLDAS-PLRJNAJWSA-N 0 0 569.712 4.431 50 10 KICARN COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3\SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)CC2)cc1 ZINC000097946696 553781366 /nfs/dbraw/zinc/78/13/66/553781366.db2.gz RAHDQVDLRAZKHC-HFTWOUSFSA-N 0 0 643.791 4.491 50 10 KICARN COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3\SC(=S)N(CCc4ccccc4)C3=O)CC2)cc1 ZINC000097946827 553781825 /nfs/dbraw/zinc/78/18/25/553781825.db2.gz CJESJCXMEJVDBX-QLYXXIJNSA-N 0 0 583.739 4.474 50 10 KICARN CCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3ccc(OC)cc3)CC2)SC1=S ZINC000097946828 553781839 /nfs/dbraw/zinc/78/18/39/553781839.db2.gz NJFJJVGJZWLTLD-NMWGTECJSA-N 0 0 549.722 4.421 50 10 KICARN COc1ccc(CCN2C(=O)/C(=C/c3c(=O)n4ccccc4nc3N3CCN(c4ccc(OC)cc4)CC3)SC2=S)cc1 ZINC000097946829 553781875 /nfs/dbraw/zinc/78/18/75/553781875.db2.gz YEXNBQQOIDPQLY-MEFGMAGPSA-N 0 0 613.765 4.482 50 10 KICARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1Br ZINC000097946852 553782130 /nfs/dbraw/zinc/78/21/30/553782130.db2.gz UMSMYVBKVYJURH-HMAPJEAMSA-N 0 0 566.481 4.478 50 10 KICARN COc1ccc(CCN2C(=O)/C(=C/c3c(NCCCOC(C)C)nc4ccccn4c3=O)SC2=S)cc1OC ZINC000097947238 553784703 /nfs/dbraw/zinc/78/47/03/553784703.db2.gz NXWMFNLSDFOULU-QJOMJCCJSA-N 0 0 568.721 4.383 50 10 KICARN Cc1c(N2C(=O)/C(=C/c3c(NCC(C)C)nc4c(C)cccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097947260 553785010 /nfs/dbraw/zinc/78/50/10/553785010.db2.gz KDJCWOVWTGKSEF-STZFKDTASA-N 0 0 560.705 4.274 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000097947270 553784964 /nfs/dbraw/zinc/78/49/64/553784964.db2.gz LKOVWPXCSCWDGB-KQWNVCNZSA-N 0 0 561.664 4.463 50 10 KICARN COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 ZINC000097947272 553784975 /nfs/dbraw/zinc/78/49/75/553784975.db2.gz NTLYRHUEUUAPOV-HBVBNRCBSA-N 0 0 558.685 4.293 50 10 KICARN COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 ZINC000097947273 553784980 /nfs/dbraw/zinc/78/49/80/553784980.db2.gz NTLYRHUEUUAPOV-QHKNXTSZSA-N 0 0 558.685 4.293 50 10 KICARN CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)C1 ZINC000097947275 553785022 /nfs/dbraw/zinc/78/50/22/553785022.db2.gz ACRKWKGQLPVWIA-AFDUHFSSSA-N 0 0 540.711 4.316 50 10 KICARN CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)C1 ZINC000097947276 553785012 /nfs/dbraw/zinc/78/50/12/553785012.db2.gz ACRKWKGQLPVWIA-IGCAKMCNSA-N 0 0 540.711 4.316 50 10 KICARN CCOCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000097947280 553785250 /nfs/dbraw/zinc/78/52/50/553785250.db2.gz NCLQJURNPVOWGN-NKFKGCMQSA-N 0 0 567.712 4.096 50 10 KICARN CCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000097947283 553785221 /nfs/dbraw/zinc/78/52/21/553785221.db2.gz JAYRHIMXPFMATP-XLNRJJMWSA-N 0 0 537.686 4.470 50 10 KICARN Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 ZINC000097947285 553785184 /nfs/dbraw/zinc/78/51/84/553785184.db2.gz OYGYWHDPIYPREU-UUYOSTAYSA-N 0 0 552.678 4.360 50 10 KICARN Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 ZINC000097947293 553785179 /nfs/dbraw/zinc/78/51/79/553785179.db2.gz ZVIQOBRUFPBIEV-HAHDFKILSA-N 0 0 561.664 4.463 50 10 KICARN CCOCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000097947296 553785203 /nfs/dbraw/zinc/78/52/03/553785203.db2.gz CQEKYOPWRSBJFA-QJOMJCCJSA-N 0 0 567.712 4.096 50 10 KICARN C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C)C3=O)c2)C[C@H](C)O1 ZINC000097947321 553785148 /nfs/dbraw/zinc/78/51/48/553785148.db2.gz HWPPJWYZIJNTIA-OWLAEVIISA-N 0 0 554.719 4.168 50 10 KICARN C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C)C3=O)c2)C[C@H](C)O1 ZINC000097947322 553785545 /nfs/dbraw/zinc/78/55/45/553785545.db2.gz HWPPJWYZIJNTIA-GNASCUAASA-N 0 0 554.719 4.168 50 10 KICARN C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C)C3=O)c2)C[C@@H](C)O1 ZINC000097947323 553785548 /nfs/dbraw/zinc/78/55/48/553785548.db2.gz HWPPJWYZIJNTIA-SOCDCLKXSA-N 0 0 554.719 4.168 50 10 KICARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000097947343 553785505 /nfs/dbraw/zinc/78/55/05/553785505.db2.gz CXPWGGOHRDIJDE-RRAHZORUSA-N 0 0 553.644 4.366 50 10 KICARN CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000097947381 553785852 /nfs/dbraw/zinc/78/58/52/553785852.db2.gz MAGNIAXBDMIADW-LCJWNIEWSA-N 0 0 555.703 4.173 50 10 KICARN CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000097947382 553785868 /nfs/dbraw/zinc/78/58/68/553785868.db2.gz MAGNIAXBDMIADW-PNWWAVQQSA-N 0 0 555.703 4.173 50 10 KICARN COCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC1=S ZINC000097947385 553785752 /nfs/dbraw/zinc/78/57/52/553785752.db2.gz SOBGKUSMLSWKGC-VBKFSLOCSA-N 0 0 518.414 4.097 50 10 KICARN CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)c1 ZINC000097947397 553786066 /nfs/dbraw/zinc/78/60/66/553786066.db2.gz QOXUWYPZDFAJKR-QJOMJCCJSA-N 0 0 556.735 4.417 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC[C@H](O)c3ccccc3)nc12 ZINC000097947414 553786029 /nfs/dbraw/zinc/78/60/29/553786029.db2.gz UPHAYWDQYDSTEP-JWRUUXOFSA-N 0 0 572.668 4.279 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 ZINC000097947415 553785983 /nfs/dbraw/zinc/78/59/83/553785983.db2.gz UPHAYWDQYDSTEP-FKYOTISTSA-N 0 0 572.668 4.279 50 10 KICARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000097947421 553786020 /nfs/dbraw/zinc/78/60/20/553786020.db2.gz LOSALALYMDNQQT-IDCRMVTHSA-N 0 0 565.138 4.156 50 10 KICARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3cccc(Cl)c3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000097947422 553785985 /nfs/dbraw/zinc/78/59/85/553785985.db2.gz LOSALALYMDNQQT-ALFKQNEGSA-N 0 0 565.138 4.156 50 10 KICARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000097947423 553785999 /nfs/dbraw/zinc/78/59/99/553785999.db2.gz XQJHKYRIELVDEX-IDCRMVTHSA-N 0 0 565.138 4.156 50 10 KICARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000097947424 553786003 /nfs/dbraw/zinc/78/60/03/553786003.db2.gz XQJHKYRIELVDEX-ALFKQNEGSA-N 0 0 565.138 4.156 50 10 KICARN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3ccc(F)cc3)CC2)SC(=S)N1Cc1ccco1 ZINC000097947609 553787601 /nfs/dbraw/zinc/78/76/01/553787601.db2.gz VZBYCDZEWSBFOO-JWGURIENSA-N 0 0 547.637 4.155 50 10 KICARN CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)CC1 ZINC000097947664 553787781 /nfs/dbraw/zinc/78/77/81/553787781.db2.gz ZBBVBZMCSDVFCZ-NMWGTECJSA-N 0 0 577.732 4.115 50 10 KICARN CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1 ZINC000097947680 553788120 /nfs/dbraw/zinc/78/81/20/553788120.db2.gz KVQAKFCOABQVNB-JCMHNJIXSA-N 0 0 566.680 4.323 50 10 KICARN CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)CC1 ZINC000097947681 553788166 /nfs/dbraw/zinc/78/81/66/553788166.db2.gz GQFIKSVSWPBEPZ-NKFKGCMQSA-N 0 0 562.717 4.226 50 10 KICARN CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1 ZINC000097947682 553788116 /nfs/dbraw/zinc/78/81/16/553788116.db2.gz OLBPYDNZHMESHY-KQWNVCNZSA-N 0 0 562.717 4.492 50 10 KICARN CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1 ZINC000097947683 553788160 /nfs/dbraw/zinc/78/81/60/553788160.db2.gz CKQAPLDQLFFOAJ-KQWNVCNZSA-N 0 0 578.716 4.192 50 10 KICARN CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1 ZINC000097947687 553788088 /nfs/dbraw/zinc/78/80/88/553788088.db2.gz VHHRHNCWNYCNKT-QNGOZBTKSA-N 0 0 552.653 4.015 50 10 KICARN COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)CC1 ZINC000097947695 553788149 /nfs/dbraw/zinc/78/81/49/553788149.db2.gz WGDVMNDZRHITSN-JLPGSUDCSA-N 0 0 573.700 4.333 50 10 KICARN CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 ZINC000097947706 553788326 /nfs/dbraw/zinc/78/83/26/553788326.db2.gz KUYFDPZEZDPTJM-QNGOZBTKSA-N 0 0 584.123 4.336 50 10 KICARN CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 ZINC000097947707 553788362 /nfs/dbraw/zinc/78/83/62/553788362.db2.gz LYYNDXJQTXRAFL-WDUNQMNWSA-N 0 0 563.705 4.244 50 10 KICARN CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 ZINC000097947708 553788334 /nfs/dbraw/zinc/78/83/34/553788334.db2.gz LYYNDXJQTXRAFL-YQPBSLOJSA-N 0 0 563.705 4.244 50 10 KICARN CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 ZINC000097947711 553788305 /nfs/dbraw/zinc/78/83/05/553788305.db2.gz DWNZNAYWNJTNNN-HKWRFOASSA-N 0 0 570.096 4.028 50 10 KICARN CCOCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(c3ccccc3F)CC2)SC1=S ZINC000097947731 553788587 /nfs/dbraw/zinc/78/85/87/553788587.db2.gz AYXLAXANDWNWRU-NKFKGCMQSA-N 0 0 567.712 4.096 50 10 KICARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000097947734 553788606 /nfs/dbraw/zinc/78/86/06/553788606.db2.gz VMJLATCVACYXNJ-KQWNVCNZSA-N 0 0 561.664 4.463 50 10 KICARN Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 ZINC000097947744 553788632 /nfs/dbraw/zinc/78/86/32/553788632.db2.gz GBEJMQIPASPYAG-HAHDFKILSA-N 0 0 561.664 4.463 50 10 KICARN CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]23)cc1 ZINC000097951350 553808277 /nfs/dbraw/zinc/80/82/77/553808277.db2.gz RFWAFXINYQOYHJ-VJBWXMMDSA-N 0 0 529.932 4.212 50 10 KICARN CCOC(=O)Cn1cc(C(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cc(NC(=O)/C=C/c3ccccc3)ccc21 ZINC000097956107 553836043 /nfs/dbraw/zinc/83/60/43/553836043.db2.gz VNXGTAQKDVJKGL-CXUHLZMHSA-N 0 0 594.668 4.396 50 10 KICARN 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554031803 /nfs/dbraw/zinc/03/18/03/554031803.db2.gz SEOUZIVBLBDIEU-ABHBNJMISA-N 0 0 539.686 4.251 50 10 KICARN CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000097999454 554043118 /nfs/dbraw/zinc/04/31/18/554043118.db2.gz ZUTQPMBLKAMTSD-IAGOWNOFSA-N 0 0 644.793 4.462 50 10 KICARN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc(OC)c1OC ZINC000098007432 554064142 /nfs/dbraw/zinc/06/41/42/554064142.db2.gz ZLPQRBQMERLBOB-MDZDMXMASA-N 0 0 583.663 4.120 50 10 KICARN COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC ZINC000098007434 554064113 /nfs/dbraw/zinc/06/41/13/554064113.db2.gz BCSXQFCGLJZPIU-DOYMOWJKSA-N 0 0 553.637 4.112 50 10 KICARN CCc1ccc2c(c1)[C@]1(C(=O)N2)N(C)C[C@@H](c2cccc([N+](=O)[O-])c2)[C@]12SC(=S)N(Cc1ccco1)C2=O ZINC000098007439 554064273 /nfs/dbraw/zinc/06/42/73/554064273.db2.gz BNLSNCSCPDAPFO-GCCWUPBUSA-N 0 0 548.646 4.426 50 10 KICARN CCc1ccc2c(c1)[C@]1(C(=O)N2)N(C)C[C@@H](c2cccc([N+](=O)[O-])c2)[C@@]12SC(=S)N(Cc1ccco1)C2=O ZINC000098007441 554064375 /nfs/dbraw/zinc/06/43/75/554064375.db2.gz BNLSNCSCPDAPFO-KWTBFXGESA-N 0 0 548.646 4.426 50 10 KICARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000098007443 554064414 /nfs/dbraw/zinc/06/44/14/554064414.db2.gz DEGMUQLPHYVTCX-NGXZDTIWSA-N 0 0 538.582 4.003 50 10 KICARN COc1ccc(N2CCN(CN3c4ccccc4[C@]4(OC[C@H](COc5ccc(Cl)cc5)O4)C3=O)CC2)cc1 ZINC000098007892 554064757 /nfs/dbraw/zinc/06/47/57/554064757.db2.gz JJYXTUXQRGSHTA-ABYGYWHVSA-N 0 0 536.028 4.122 50 10 KICARN COc1ccc(N2CCN(CN3c4ccccc4[C@@]4(OC[C@H](COc5ccc(Cl)cc5)O4)C3=O)CC2)cc1 ZINC000098007894 554064807 /nfs/dbraw/zinc/06/48/07/554064807.db2.gz JJYXTUXQRGSHTA-SVEHJYQDSA-N 0 0 536.028 4.122 50 10 KICARN COc1ccc(N2CCN(CN3c4ccccc4[C@]4(OC[C@@H](COc5ccc(Cl)cc5)O4)C3=O)CC2)cc1 ZINC000098007896 554064823 /nfs/dbraw/zinc/06/48/23/554064823.db2.gz JJYXTUXQRGSHTA-VAVYLYDRSA-N 0 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O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12 ZINC000100497499 554404912 /nfs/dbraw/zinc/40/49/12/554404912.db2.gz DPRQIIZNCASZHQ-NJYVYQBISA-N 0 0 520.310 4.283 50 10 KICARN Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4)SC3=S)cc2)n1 ZINC000100504389 554407334 /nfs/dbraw/zinc/40/73/34/554407334.db2.gz IXTMVKZKJWMMSC-QNGOZBTKSA-N 0 0 553.691 4.124 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(I)cc1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000100506376 554407833 /nfs/dbraw/zinc/40/78/33/554407833.db2.gz KJYCISBNTAQCMW-HBMCJLEFSA-N 0 0 555.368 4.114 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(I)cc1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000100506380 554407822 /nfs/dbraw/zinc/40/78/22/554407822.db2.gz KJYCISBNTAQCMW-ACRUOGEOSA-N 0 0 555.368 4.114 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(I)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000100506382 554407823 /nfs/dbraw/zinc/40/78/23/554407823.db2.gz KJYCISBNTAQCMW-NJYVYQBISA-N 0 0 555.368 4.114 50 10 KICARN Cc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Br)cc2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000100517626 554408966 /nfs/dbraw/zinc/40/89/66/554408966.db2.gz BLAATVRAIPYQGN-VABKMULXSA-N 0 0 530.374 4.448 50 10 KICARN Cc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Br)cc2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000100517630 554409079 /nfs/dbraw/zinc/40/90/79/554409079.db2.gz BLAATVRAIPYQGN-RJGXRXQPSA-N 0 0 530.374 4.448 50 10 KICARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Cl)cc2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000100517651 554409030 /nfs/dbraw/zinc/40/90/30/554409030.db2.gz NNNJDCFIWIEAGO-VABKMULXSA-N 0 0 501.922 4.434 50 10 KICARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Cl)cc2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000100517656 554408975 /nfs/dbraw/zinc/40/89/75/554408975.db2.gz NNNJDCFIWIEAGO-RJGXRXQPSA-N 0 0 501.922 4.434 50 10 KICARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2cccc(Cl)c2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000100524537 554409616 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100527123 554410180 /nfs/dbraw/zinc/41/01/80/554410180.db2.gz DJZIJRVYZZFKCH-GTWFGUSFSA-N 0 0 558.616 4.033 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000100527127 554410150 /nfs/dbraw/zinc/41/01/50/554410150.db2.gz DJZIJRVYZZFKCH-SJJVXOANSA-N 0 0 558.616 4.033 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Br)c1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000100529012 554410537 /nfs/dbraw/zinc/41/05/37/554410537.db2.gz NBXPXDCZYDEKLP-HBMCJLEFSA-N 0 0 520.310 4.283 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Br)c1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000100529014 554410491 /nfs/dbraw/zinc/41/04/91/554410491.db2.gz NBXPXDCZYDEKLP-ACRUOGEOSA-N 0 0 520.310 4.283 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Br)c1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000100529017 554410441 /nfs/dbraw/zinc/41/04/41/554410441.db2.gz NBXPXDCZYDEKLP-NJYVYQBISA-N 0 0 520.310 4.283 50 10 KICARN CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2/Sc3ccc(Cl)cc3N2C)c(=O)n1-c1ccccc1 ZINC000100529838 554410413 /nfs/dbraw/zinc/41/04/13/554410413.db2.gz QOXRJTOOEIRCJY-FLPXOHCLSA-N 0 0 531.062 4.434 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100533467 554411188 /nfs/dbraw/zinc/41/11/88/554411188.db2.gz PBAJXZHZGLGZMY-UNDLXJOSSA-N 0 0 628.707 4.360 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000100533470 554411154 /nfs/dbraw/zinc/41/11/54/554411154.db2.gz PBAJXZHZGLGZMY-JLKMOJGBSA-N 0 0 628.707 4.360 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100533476 554411119 /nfs/dbraw/zinc/41/11/19/554411119.db2.gz XDONUGPBVIBCDZ-LAUBZIAYSA-N 0 0 598.681 4.352 50 10 KICARN 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CCOc1cc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)ccc1OC(=O)/C=C/c1ccc(OC)cc1 ZINC000104073920 571372316 /nfs/dbraw/zinc/37/23/16/571372316.db2.gz BSFNKMDLAOQRDI-YCIFGCQNSA-N 0 0 559.687 4.101 50 10 KICARN COc1ccc(CN2C(=O)/C(=C/c3c(=O)n4ccccc4nc3N3CCN(Cc4ccc5c(c4)OCO5)CC3)SC2=S)cc1 ZINC000104150011 571375422 /nfs/dbraw/zinc/37/54/22/571375422.db2.gz PBXVACODAKSZSM-PKAZHMFMSA-N 0 0 627.748 4.155 50 10 KICARN COc1ccc(N2CCN(CN3c4ccccc4[C@]4(OCC[C@H](Oc5ccc(Cl)cc5)O4)C3=O)CC2)cc1 ZINC000104161809 571375768 /nfs/dbraw/zinc/37/57/68/571375768.db2.gz JNVVQAJVXLWWKP-XRKRLSELSA-N 0 0 536.028 4.470 50 10 KICARN COc1ccc(N2CCN(CN3c4ccccc4[C@@]4(OCC[C@H](Oc5ccc(Cl)cc5)O4)C3=O)CC2)cc1 ZINC000104161813 571375778 /nfs/dbraw/zinc/37/57/78/571375778.db2.gz JNVVQAJVXLWWKP-PXJZQJOASA-N 0 0 536.028 4.470 50 10 KICARN COc1ccc(N2CCN(CN3c4ccccc4[C@]4(OCC[C@@H](Oc5ccc(Cl)cc5)O4)C3=O)CC2)cc1 ZINC000104161817 571375762 /nfs/dbraw/zinc/37/57/62/571375762.db2.gz JNVVQAJVXLWWKP-LMSSTIIKSA-N 0 0 536.028 4.470 50 10 KICARN COc1ccc(N2CCN(CN3c4ccccc4[C@@]4(OCC[C@@H](Oc5ccc(Cl)cc5)O4)C3=O)CC2)cc1 ZINC000104161822 571375812 /nfs/dbraw/zinc/37/58/12/571375812.db2.gz JNVVQAJVXLWWKP-YTMVLYRLSA-N 0 0 536.028 4.470 50 10 KICARN CN(CCc1cc2c(cc1C=C1C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C1=O)OCO2)C(=O)c1ccccc1 ZINC000104170999 571376030 /nfs/dbraw/zinc/37/60/30/571376030.db2.gz NCPHLDURGGOWDM-QRVIBDJDSA-N 0 0 529.524 4.371 50 10 KICARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000104784289 571386007 /nfs/dbraw/zinc/38/60/07/571386007.db2.gz WNZSTZVIDAYJGH-UBFVSLLYSA-N 0 0 563.452 4.174 50 10 KICARN COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)C3=O)o2)cc1 ZINC000105915069 571409420 /nfs/dbraw/zinc/40/94/20/571409420.db2.gz URXDXQHCIBMSRP-ODLFYWEKSA-N 0 0 535.515 4.054 50 10 KICARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000106015220 571410382 /nfs/dbraw/zinc/41/03/82/571410382.db2.gz NMECJMQVTFBPMX-YTFSRNRJSA-N 0 0 574.383 4.321 50 10 KICARN COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccco2)CN(C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000106015616 571410335 /nfs/dbraw/zinc/41/03/35/571410335.db2.gz GYDZPKJRCCKGEO-SQMFLSJESA-N 0 0 537.638 4.128 50 10 KICARN COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccco2)CN(C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000106015619 571410401 /nfs/dbraw/zinc/41/04/01/571410401.db2.gz GYDZPKJRCCKGEO-JAMKYWPSSA-N 0 0 537.638 4.128 50 10 KICARN COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2cccnc2)CN(C)[C@]32c3cc(Cl)ccc3N(C)C2=O)cc1 ZINC000106021646 571410934 /nfs/dbraw/zinc/41/09/34/571410934.db2.gz ITCRFMWLNNZYHU-QLCOJLISSA-N 0 0 565.120 4.444 50 10 KICARN COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2cccnc2)CN(C)[C@]32c3cc(Cl)ccc3N(C)C2=O)cc1 ZINC000106021651 571410856 /nfs/dbraw/zinc/41/08/56/571410856.db2.gz ITCRFMWLNNZYHU-KKVCJECGSA-N 0 0 565.120 4.444 50 10 KICARN CN1C[C@H](c2cccnc2)[C@]2(SC(=S)N(Cc3ccccc3)C2=O)[C@@]12c1cc(Cl)ccc1N(C)C2=O ZINC000106021672 571411030 /nfs/dbraw/zinc/41/10/30/571411030.db2.gz KYNOTMXSBHKBMJ-COFKYPDJSA-N 0 0 535.094 4.435 50 10 KICARN COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccncc2)CN(C)[C@]32c3cc(Cl)ccc3N(C)C2=O)cc1 ZINC000106021723 571411075 /nfs/dbraw/zinc/41/10/75/571411075.db2.gz PIAGVSRZVXHIRF-QLCOJLISSA-N 0 0 565.120 4.444 50 10 KICARN COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccncc2)CN(C)[C@]32c3cc(Cl)ccc3N(C)C2=O)cc1 ZINC000106021728 571411078 /nfs/dbraw/zinc/41/10/78/571411078.db2.gz PIAGVSRZVXHIRF-KKVCJECGSA-N 0 0 565.120 4.444 50 10 KICARN CN1C[C@H](c2ccccn2)[C@]2(SC(=S)N(Cc3ccccc3)C2=O)[C@@]12c1cc(Cl)ccc1N(C)C2=O ZINC000106021759 571411022 /nfs/dbraw/zinc/41/10/22/571411022.db2.gz ZBUYIQUXICGXFL-JAMKYWPSSA-N 0 0 535.094 4.435 50 10 KICARN CN1C[C@H](c2ccco2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)N(C)c1ccc(Cl)cc12 ZINC000106021795 571411046 /nfs/dbraw/zinc/41/10/46/571411046.db2.gz OCHPSJZGZHFTPG-GAZXMLTASA-N 0 0 514.028 4.226 50 10 KICARN CN1C[C@H](c2cccnc2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)N(C)c1ccc(Cl)cc12 ZINC000106021955 571411012 /nfs/dbraw/zinc/41/10/12/571411012.db2.gz LEIKQNQFTZYFCU-BTZRARBUSA-N 0 0 525.055 4.028 50 10 KICARN CN1C[C@H](c2ccccn2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)N(C)c1ccc(Cl)cc12 ZINC000106022041 571411060 /nfs/dbraw/zinc/41/10/60/571411060.db2.gz FJVPZIUKYZDSRG-AYCKEJKLSA-N 0 0 525.055 4.028 50 10 KICARN CN1C[C@H](c2ccncc2)[C@]2(SC(=S)N(Cc3ccccc3)C2=O)[C@@]12c1cc(Cl)ccc1N(C)C2=O ZINC000106022140 571411043 /nfs/dbraw/zinc/41/10/43/571411043.db2.gz QTMRLSJUUPQGIV-COFKYPDJSA-N 0 0 535.094 4.435 50 10 KICARN CN1C[C@H](c2ccncc2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)N(C)c1ccc(Cl)cc12 ZINC000106022151 571411064 /nfs/dbraw/zinc/41/10/64/571411064.db2.gz KNKLRZQWCBEUQY-BTZRARBUSA-N 0 0 525.055 4.028 50 10 KICARN COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2cccs2)[C@]12SC(=S)N(Cc1ccco1)C2=O ZINC000106022203 571411003 /nfs/dbraw/zinc/41/10/03/571411003.db2.gz JSFJINBXYPDTFB-ZYKLXPEUSA-N 0 0 525.677 4.050 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@H]1c3c(cnc4ncnn43)C(=O)N(Cc3ccccc3)[C@H]1[C@H]2c1cccc(Cl)c1 ZINC000107913838 571421657 /nfs/dbraw/zinc/42/16/57/571421657.db2.gz OEGVVYYJFPDBND-AFESJLNVSA-N 0 0 561.985 4.475 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@H]1c3c(cnc4ncnn43)C(=O)N(Cc3ccccc3)[C@H]1[C@@H]2c1cccc(Cl)c1 ZINC000107913842 571421659 /nfs/dbraw/zinc/42/16/59/571421659.db2.gz OEGVVYYJFPDBND-RNXOBYDBSA-N 0 0 561.985 4.475 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@H]1c3c(cnc4ncnn43)C(=O)N(Cc3ccccc3)[C@@H]1[C@H]2c1cccc(Cl)c1 ZINC000107913847 571421649 /nfs/dbraw/zinc/42/16/49/571421649.db2.gz OEGVVYYJFPDBND-ARMFNRFLSA-N 0 0 561.985 4.475 50 10 KICARN O=C1c2ccccc2C(=O)C12O[C@H]1c3c(cnc4ncnn43)C(=O)N(Cc3ccccc3)[C@@H]1[C@@H]2c1cccc(Cl)c1 ZINC000107913851 571421650 /nfs/dbraw/zinc/42/16/50/571421650.db2.gz OEGVVYYJFPDBND-DMDYGQEQSA-N 0 0 561.985 4.475 50 10 KICARN O=C1C[C@@H](c2cccc(Oc3ncccn3)c2)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000108450277 571425168 /nfs/dbraw/zinc/42/51/68/571425168.db2.gz IKUVUITZQQGDKG-INIZCTEOSA-N 0 0 526.457 4.306 50 10 biogenic KICARN O=C1C[C@H](c2cccc(Oc3ncccn3)c2)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000108450279 571425119 /nfs/dbraw/zinc/42/51/19/571425119.db2.gz IKUVUITZQQGDKG-MRXNPFEDSA-N 0 0 526.457 4.306 50 10 biogenic KICARN COc1ccc(N2CCN(C(=O)[C@H](C)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1 ZINC000108450513 193926225 /nfs/dbraw/zinc/92/62/25/193926225.db2.gz WSQAMABLBJEJGH-KMRXNPHXSA-N 0 0 630.742 4.021 50 10 biogenic KICARN COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)Oc3cc(O)c4c(c32)OC(c2ccc(O)c(O)c2)C(=O)C4=O)cc1 ZINC000108451462 571425646 /nfs/dbraw/zinc/42/56/46/571425646.db2.gz SFKXQDXMJLFZJH-HNNXBMFYSA-N 0 0 528.473 4.122 50 10 biogenic KICARN COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)Oc3cc(O)c4c(c32)OC(c2ccc(O)c(O)c2)C(=O)C4=O)cc1 ZINC000108451464 571425686 /nfs/dbraw/zinc/42/56/86/571425686.db2.gz SFKXQDXMJLFZJH-OAHLLOKOSA-N 0 0 528.473 4.122 50 10 biogenic KICARN COc1cc(/C=C2/SC(=S)N(N3C(=O)c4ccccc4C3=O)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000110249142 571431030 /nfs/dbraw/zinc/43/10/30/571431030.db2.gz NLDYZPIXUYLKCR-HYARGMPZSA-N 0 0 545.598 4.125 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000111494208 571433404 /nfs/dbraw/zinc/43/34/04/571433404.db2.gz NQTRVUSUQVIUMS-CMISJSSVSA-N 0 0 549.693 4.052 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000111494212 571433321 /nfs/dbraw/zinc/43/33/21/571433321.db2.gz NQTRVUSUQVIUMS-DBXPASCUSA-N 0 0 549.693 4.052 50 10 KICARN Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000137853347 571450572 /nfs/dbraw/zinc/45/05/72/571450572.db2.gz JIPHVOKKOBXSDY-BDTNDASRSA-N 0 0 516.347 4.453 50 10 KICARN Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)c1 ZINC000138129932 571451128 /nfs/dbraw/zinc/45/11/28/571451128.db2.gz CEAJVYIEGZCGCK-BDTNDASRSA-N 0 0 516.347 4.453 50 10 KICARN CN1C(=O)/C(=C\c2cn(CC(=O)N3CCCCCC3)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000150350749 571462046 /nfs/dbraw/zinc/46/20/46/571462046.db2.gz DQQWRQSNHLEBFM-QQXSKIMKSA-N 0 0 641.588 4.344 50 10 KICARN C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c2cc(Br)ccc21 ZINC000150350750 571462016 /nfs/dbraw/zinc/46/20/16/571462016.db2.gz HLGPSUIZBXRITH-RWTUPJDWSA-N 0 0 641.588 4.343 50 10 KICARN C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c2cc(Br)ccc21 ZINC000150350751 571462022 /nfs/dbraw/zinc/46/20/22/571462022.db2.gz HLGPSUIZBXRITH-YIRYVTQCSA-N 0 0 641.588 4.343 50 10 KICARN Cc1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000150350790 571462030 /nfs/dbraw/zinc/46/20/30/571462030.db2.gz BUVBOXQISWBIEO-ONUIUJJFSA-N 0 0 641.588 4.231 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000150367095 571464966 /nfs/dbraw/zinc/46/49/66/571464966.db2.gz KNKIBWMKGWSLMT-XGLZOBASSA-N 0 0 644.588 4.433 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000150367097 571464951 /nfs/dbraw/zinc/46/49/51/571464951.db2.gz KNKIBWMKGWSLMT-LXYLXTGBSA-N 0 0 644.588 4.433 50 10 KICARN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(I)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000150386523 571469281 /nfs/dbraw/zinc/46/92/81/571469281.db2.gz IYGRMQSXJWKXCY-VJBWXMMDSA-N 0 0 621.383 4.163 50 10 KICARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(I)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000150386525 571469279 /nfs/dbraw/zinc/46/92/79/571469279.db2.gz IYGRMQSXJWKXCY-XPWALMASSA-N 0 0 621.383 4.163 50 10 KICARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)C(C)(C)C2=S)S1 ZINC000150387039 571469714 /nfs/dbraw/zinc/46/97/14/571469714.db2.gz USXJNPKETLAFOP-IYBDPMFKSA-N 0 0 630.766 4.072 50 10 KICARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)C(C)(C)C2=S)S1 ZINC000150387041 571469624 /nfs/dbraw/zinc/46/96/24/571469624.db2.gz USXJNPKETLAFOP-HZPDHXFCSA-N 0 0 630.766 4.072 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000150390779 571473076 /nfs/dbraw/zinc/47/30/76/571473076.db2.gz GUEIDDACJSQGPT-VLOXRPPESA-N 0 0 729.378 4.082 50 10 KICARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000150390781 571473034 /nfs/dbraw/zinc/47/30/34/571473034.db2.gz GUEIDDACJSQGPT-WLJFKGHSSA-N 0 0 729.378 4.082 50 10 KICARN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)C2=O)cc1 ZINC000150400634 571478016 /nfs/dbraw/zinc/47/80/16/571478016.db2.gz WDPJDCOOYWBJHB-SGEDCAFJSA-N 0 0 653.742 4.422 50 10 KICARN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCNC(=O)CCN3C(=O)/C(=C/c4ccc(C)cc4)SC3=S)C2=O)cc1 ZINC000150408132 571480611 /nfs/dbraw/zinc/48/06/11/571480611.db2.gz VQAHMFOOZUSGHB-QFFDILLMSA-N 0 0 638.862 4.419 50 10 KICARN 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CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000245311329 572229603 /nfs/dbraw/zinc/22/96/03/572229603.db2.gz NNNJDCFIWIEAGO-ZRBLBEILSA-N 0 0 501.922 4.434 50 10 KICARN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000245312551 572229957 /nfs/dbraw/zinc/22/99/57/572229957.db2.gz VUAMWUGAEXTRGG-BDTNDASRSA-N 0 0 516.347 4.453 50 10 KICARN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)[NH2+][C@](Cc4c[nH]c5ccccc45)(C(=O)[O-])[C@H]3C2=O)c1 ZINC000245325965 572232084 /nfs/dbraw/zinc/23/20/84/572232084.db2.gz IIVZPOSHWDJSRJ-TUAOVVRQSA-N 0 0 509.562 4.007 50 10 KICARN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)[NH2+][C@@](Cc4c[nH]c5ccccc45)(C(=O)[O-])[C@H]3C2=O)c1 ZINC000245325967 572231981 /nfs/dbraw/zinc/23/19/81/572231981.db2.gz IIVZPOSHWDJSRJ-YRIIQKNPSA-N 0 0 509.562 4.007 50 10 KICARN COc1ccc(N2CCN3c4ccccc4C[C@]4(C(=O)NC(=O)N(CCc5ccc(OC)c(OC)c5)C4=O)[C@H]3C2)cc1 ZINC000245326466 572232544 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572274690 /nfs/dbraw/zinc/27/46/90/572274690.db2.gz GYFZJOGOXXZNFX-AREMUKBSSA-N 0 0 558.616 4.033 50 10 KICARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000252669238 572274659 /nfs/dbraw/zinc/27/46/59/572274659.db2.gz GYFZJOGOXXZNFX-SANMLTNESA-N 0 0 558.616 4.033 50 10 KICARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252669270 572274789 /nfs/dbraw/zinc/27/47/89/572274789.db2.gz HAPKCIXXSVAWOS-MUUNZHRXSA-N 0 0 585.682 4.001 50 10 KICARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252669271 572274772 /nfs/dbraw/zinc/27/47/72/572274772.db2.gz HAPKCIXXSVAWOS-NDEPHWFRSA-N 0 0 585.682 4.001 50 10 KICARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000252669312 572274767 /nfs/dbraw/zinc/27/47/67/572274767.db2.gz HCVARBMPIHITMG-MUUNZHRXSA-N 0 0 632.536 4.493 50 10 KICARN 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COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1oc(CN2CCN(c3ccc(OC)cc3)CC2)cc(=O)c1O ZINC000253412980 572288184 /nfs/dbraw/zinc/28/81/84/572288184.db2.gz SQJIQWHEBBLANX-HSZRJFAPSA-N 0 0 562.541 4.270 50 10 KICARN COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1oc(CN2CCN(c3ccc(OC)cc3)CC2)cc(=O)c1O ZINC000253412981 572288218 /nfs/dbraw/zinc/28/82/18/572288218.db2.gz SQJIQWHEBBLANX-QHCPKHFHSA-N 0 0 562.541 4.270 50 10 KICARN COc1cc2c(cc1OC)CN(C(=O)Cn1c3ccccc3c3c1[C@H]1N(C)c4ccccc4C(=O)N1CC3)CC2 ZINC000253414512 572288880 /nfs/dbraw/zinc/28/88/80/572288880.db2.gz XRWQMTAEPGNKOS-HKBQPEDESA-N 0 0 536.632 4.390 50 10 KICARN COC(=O)C[C@@H](c1ccc(OCc2ccccn2)cc1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O ZINC000253414931 572289119 /nfs/dbraw/zinc/28/91/19/572289119.db2.gz ZCCXOIIYUTUWOT-DEOSSOPVSA-N 0 0 530.577 4.185 50 10 KICARN COC(=O)C[C@H](c1ccc(OCc2ccccn2)cc1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O ZINC000253414932 572289086 /nfs/dbraw/zinc/28/90/86/572289086.db2.gz ZCCXOIIYUTUWOT-XMMPIXPASA-N 0 0 530.577 4.185 50 10 KICARN CC(C)C[NH+](Cc1c([O-])c(C[NH+](CC(C)C)CC(C)C)c2occ(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)c(=O)c2c1[O-])CC(C)C ZINC000253531260 572298784 /nfs/dbraw/zinc/29/87/84/572298784.db2.gz ZIRVAXSEFMJJME-GYSFYTOCSA-N 0 0 714.897 4.278 50 10 KICARN CC(C)C[NH+](Cc1c([O-])c(C[NH+](CC(C)C)CC(C)C)c2occ(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)c(=O)c2c1[O-])CC(C)C ZINC000253531261 572298855 /nfs/dbraw/zinc/29/88/55/572298855.db2.gz ZIRVAXSEFMJJME-YTUVYBEXSA-N 0 0 714.897 4.278 50 10 KICARN O=C(CN1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000254896134 572303903 /nfs/dbraw/zinc/30/39/03/572303903.db2.gz BYRMONTUGSKGTD-YJKXZOLRSA-N 0 0 545.564 4.229 50 10 KICARN COC(=O)C[C@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O ZINC000263585311 572117505 /nfs/dbraw/zinc/11/75/05/572117505.db2.gz HERHSYSTHQSKOZ-JOCHJYFZSA-N 0 0 546.620 4.182 50 10 KICARN COC(=O)C[C@@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O ZINC000263585312 572117487 /nfs/dbraw/zinc/11/74/87/572117487.db2.gz HERHSYSTHQSKOZ-QFIPXVFZSA-N 0 0 546.620 4.182 50 10 KICARN CC(C)COc1ccc(/C=C2\SC(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)=NC2=O)cc1 ZINC000390834856 572155872 /nfs/dbraw/zinc/15/58/72/572155872.db2.gz ISEPKDXLJPTPDB-JCMHNJIXSA-N 0 0 520.076 4.352 50 10 KICARN COC(=O)C[C@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O ZINC000409413787 1064284864 /nfs/dbraw/zinc/28/48/64/1064284864.db2.gz ISHCGXZTIYZYCS-JOCHJYFZSA-N 0 0 546.620 4.182 50 10 KICARN COC(=O)C[C@@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O ZINC000409413788 1064277473 /nfs/dbraw/zinc/27/74/73/1064277473.db2.gz ISHCGXZTIYZYCS-QFIPXVFZSA-N 0 0 546.620 4.182 50 10 KICARN COC(=O)C[C@@H](c1ccc(OCc2ccccn2)cc1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O ZINC000409414443 1064277530 /nfs/dbraw/zinc/27/75/30/1064277530.db2.gz WAFVTINQBCEEAQ-DEOSSOPVSA-N 0 0 530.577 4.185 50 10 KICARN COC(=O)C[C@H](c1ccc(OCc2ccccn2)cc1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O ZINC000409414444 1064277721 /nfs/dbraw/zinc/27/77/21/1064277721.db2.gz WAFVTINQBCEEAQ-XMMPIXPASA-N 0 0 530.577 4.185 50 10 KICARN