smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OCC)cc1NC(=O)c1ccccc1F ZINC000000928850 551580865 /nfs/dbraw/zinc/58/08/65/551580865.db2.gz ZMPORVJIZASADR-UHFFFAOYSA-N 0 1 515.563 4.635 40 0 KJABMN COc1cc(-c2cc(-c3ccccc3O)nc(NS(=O)(=O)c3ccc(C)cc3)n2)cc(OC)c1OC ZINC000001092304 551607218 /nfs/dbraw/zinc/60/72/18/551607218.db2.gz ZCKXAZUTLWMGHK-UHFFFAOYSA-N 0 1 507.568 4.651 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000001096274 551607622 /nfs/dbraw/zinc/60/76/22/551607622.db2.gz GQVRJHCLHNUKEX-UHFFFAOYSA-N 0 1 565.673 4.882 40 0 KJABMN CCOc1cc(NS(=O)(=O)c2ccc(OC)cc2)c(OCC)cc1NC(=O)c1ccc(OC)cc1 ZINC000001324611 551642471 /nfs/dbraw/zinc/64/24/71/551642471.db2.gz AHJQUPUZPASTBG-UHFFFAOYSA-N 0 1 500.573 4.554 40 0 KJABMN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001326054 551643102 /nfs/dbraw/zinc/64/31/02/551643102.db2.gz BRZRFMPMRQAQFM-VWLOTQADSA-N 0 1 514.630 4.620 40 0 KJABMN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001326057 551643188 /nfs/dbraw/zinc/64/31/88/551643188.db2.gz BRZRFMPMRQAQFM-RUZDIDTESA-N 0 1 514.630 4.620 40 0 KJABMN CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001326086 551643117 /nfs/dbraw/zinc/64/31/17/551643117.db2.gz BVMAOYKBWBWOSN-SANMLTNESA-N 0 1 544.656 4.629 40 0 KJABMN CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001326088 551643126 /nfs/dbraw/zinc/64/31/26/551643126.db2.gz BVMAOYKBWBWOSN-AREMUKBSSA-N 0 1 544.656 4.629 40 0 KJABMN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000001374528 551654079 /nfs/dbraw/zinc/65/40/79/551654079.db2.gz MRSVPWZYWWQCCG-SANMLTNESA-N 0 1 504.610 4.997 40 0 KJABMN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000001374528 551654078 /nfs/dbraw/zinc/65/40/78/551654078.db2.gz MRSVPWZYWWQCCG-SANMLTNESA-N 0 1 504.610 4.997 40 0 KJABMN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000001374529 551654075 /nfs/dbraw/zinc/65/40/75/551654075.db2.gz MRSVPWZYWWQCCG-AREMUKBSSA-N 0 1 504.610 4.997 40 0 KJABMN CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000001374529 551654074 /nfs/dbraw/zinc/65/40/74/551654074.db2.gz MRSVPWZYWWQCCG-AREMUKBSSA-N 0 1 504.610 4.997 40 0 KJABMN CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374693 551654678 /nfs/dbraw/zinc/65/46/78/551654678.db2.gz MPZREMCHXHYBLD-MHZLTWQESA-N 0 1 516.646 4.866 40 0 KJABMN CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374694 551654664 /nfs/dbraw/zinc/65/46/64/551654664.db2.gz MPZREMCHXHYBLD-HHHXNRCGSA-N 0 1 516.646 4.866 40 0 KJABMN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374745 551654904 /nfs/dbraw/zinc/65/49/04/551654904.db2.gz AXGMWHDBPSKRQL-SANMLTNESA-N 0 1 504.610 4.997 40 0 KJABMN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374746 551654893 /nfs/dbraw/zinc/65/48/93/551654893.db2.gz AXGMWHDBPSKRQL-AREMUKBSSA-N 0 1 504.610 4.997 40 0 KJABMN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374848 551655292 /nfs/dbraw/zinc/65/52/92/551655292.db2.gz HQHVWGYQRWJZEA-VWLOTQADSA-N 0 1 532.620 4.759 40 0 KJABMN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374849 551655443 /nfs/dbraw/zinc/65/54/43/551655443.db2.gz HQHVWGYQRWJZEA-RUZDIDTESA-N 0 1 532.620 4.759 40 0 KJABMN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374896 551655648 /nfs/dbraw/zinc/65/56/48/551655648.db2.gz WMOGWHSHCQXQGJ-SANMLTNESA-N 0 1 528.657 4.815 40 0 KJABMN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374897 551655503 /nfs/dbraw/zinc/65/55/03/551655503.db2.gz WMOGWHSHCQXQGJ-AREMUKBSSA-N 0 1 528.657 4.815 40 0 KJABMN CC[C@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000001430431 551670016 /nfs/dbraw/zinc/67/00/16/551670016.db2.gz SBGUJUZVKRHORC-LBCJCTBSSA-N 0 1 550.442 4.932 40 0 KJABMN O[C@@H](COc1c(F)cc(Br)cc1F)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000001470110 551680191 /nfs/dbraw/zinc/68/01/91/551680191.db2.gz MQIMAGKWBAYBIE-JOCHJYFZSA-N 0 1 517.414 4.874 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3Nc3cccc(Cl)c3)cc2)n1 ZINC000001616104 551686232 /nfs/dbraw/zinc/68/62/32/551686232.db2.gz JZXRHPHGADAHCA-UHFFFAOYSA-N 0 1 508.991 4.939 40 0 KJABMN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000002395943 552110186 /nfs/dbraw/zinc/11/01/86/552110186.db2.gz BENFIYDUHHUKEQ-FPYGCLRLSA-N 0 1 509.242 4.624 40 0 KJABMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000003812143 552418564 /nfs/dbraw/zinc/41/85/64/552418564.db2.gz MOTJMGVDPWRKOC-MXSCXNJPSA-N 0 1 510.631 4.694 40 0 in-vitro KJABMN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460424 552502660 /nfs/dbraw/zinc/50/26/60/552502660.db2.gz AAKFOLFNORPNSI-LOYHVIPDSA-N 0 1 623.666 4.678 40 0 KJABMN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460431 552502561 /nfs/dbraw/zinc/50/25/61/552502561.db2.gz AAKFOLFNORPNSI-XZWHSSHBSA-N 0 1 623.666 4.678 40 0 KJABMN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460438 552502618 /nfs/dbraw/zinc/50/26/18/552502618.db2.gz AAKFOLFNORPNSI-IHLOFXLRSA-N 0 1 623.666 4.678 40 0 KJABMN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460443 552502625 /nfs/dbraw/zinc/50/26/25/552502625.db2.gz AAKFOLFNORPNSI-KYJUHHDHSA-N 0 1 623.666 4.678 40 0 KJABMN CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)Nc1ccccc1 ZINC000006075209 552526943 /nfs/dbraw/zinc/52/69/43/552526943.db2.gz ONUIQWNGVTXGSR-INIZCTEOSA-N 0 1 608.214 4.676 40 0 KJABMN CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)Nc1ccccc1 ZINC000006075222 552527201 /nfs/dbraw/zinc/52/72/01/552527201.db2.gz ONUIQWNGVTXGSR-MRXNPFEDSA-N 0 1 608.214 4.676 40 0 KJABMN CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)n2)s1 ZINC000006077409 552528850 /nfs/dbraw/zinc/52/88/50/552528850.db2.gz JLFWAZNTZSDGPG-UHFFFAOYSA-N 0 1 529.673 4.875 40 0 KJABMN CCOc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OCC)cc1NC(=O)c1cccs1 ZINC000006088647 552530469 /nfs/dbraw/zinc/53/04/69/552530469.db2.gz LLEWVPGBBIIHOY-UHFFFAOYSA-N 0 1 503.602 4.557 40 0 KJABMN CN(CC(=O)Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1)C1CCCCC1 ZINC000006173208 552559003 /nfs/dbraw/zinc/55/90/03/552559003.db2.gz JVYNTKVLRGIEIW-UHFFFAOYSA-N 0 1 510.685 4.765 40 0 KJABMN CN1CCN(c2ccc(NC(=O)c3cc(Br)cc(Br)c3I)cc2)CC1 ZINC000006287880 552578411 /nfs/dbraw/zinc/57/84/11/552578411.db2.gz CNNFJBHEEXVMFA-UHFFFAOYSA-N 0 1 579.074 4.820 40 0 KJABMN Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=S)Nc2ccc(F)cc2)n1 ZINC000008622844 1066471900 /nfs/dbraw/zinc/47/19/00/1066471900.db2.gz YKWHCOXTGRHMIO-AMDXRBSFSA-N 0 1 504.679 4.822 40 0 biogenic,in-vitro KJABMN Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=S)Nc2ccc(F)cc2)n1 ZINC000008622844 1066471887 /nfs/dbraw/zinc/47/18/87/1066471887.db2.gz YKWHCOXTGRHMIO-AMDXRBSFSA-N 0 1 504.679 4.822 40 0 biogenic,in-vitro KJABMN Cc1nc(-c2ccccc2Br)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)COc2ccccc2)n1 ZINC000008623129 560107532 /nfs/dbraw/zinc/10/75/32/560107532.db2.gz JNZSZKZETMPPDJ-MZKRTTBSSA-N 0 1 521.459 4.588 40 0 biogenic,in-vitro KJABMN Cc1nc(-c2ccccc2Br)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)COc2ccccc2)n1 ZINC000008623129 560107531 /nfs/dbraw/zinc/10/75/31/560107531.db2.gz JNZSZKZETMPPDJ-MZKRTTBSSA-N 0 1 521.459 4.588 40 0 biogenic,in-vitro KJABMN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)cc1 ZINC000009063516 553205537 /nfs/dbraw/zinc/20/55/37/553205537.db2.gz AJEQXLZCYSOHSY-UHFFFAOYSA-N 0 1 511.619 4.876 40 0 KJABMN COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1OC ZINC000009063542 553205584 /nfs/dbraw/zinc/20/55/84/553205584.db2.gz XQUBFNOOLHQEIY-UHFFFAOYSA-N 0 1 519.617 4.666 40 0 KJABMN COC(=O)c1ccc([C@H](C(=O)NC2CCCCC2)N(CCN2CCCCC2)C(=O)Cc2cccs2)cc1 ZINC000012477481 553372290 /nfs/dbraw/zinc/37/22/90/553372290.db2.gz ZCHKUYSQVDMHOD-HHHXNRCGSA-N 0 1 525.715 4.582 40 0 KJABMN COC(=O)c1ccc([C@@H](C(=O)NC2CCCCC2)N(CCN2CCCCC2)C(=O)Cc2cccs2)cc1 ZINC000012477487 553372323 /nfs/dbraw/zinc/37/23/23/553372323.db2.gz ZCHKUYSQVDMHOD-MHZLTWQESA-N 0 1 525.715 4.582 40 0 KJABMN COc1ccccc1CNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000012601886 553402032 /nfs/dbraw/zinc/40/20/32/553402032.db2.gz ZEYSUZPLVTUJIL-KZQOYIJHSA-N 0 1 507.638 4.648 40 0 biogenic,in-vitro KJABMN COc1ccccc1CNC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000012601887 571360576 /nfs/dbraw/zinc/36/05/76/571360576.db2.gz ZEYSUZPLVTUJIL-ITHJLQSDSA-N 0 1 507.638 4.648 40 0 biogenic,in-vitro KJABMN CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013499399 553465569 /nfs/dbraw/zinc/46/55/69/553465569.db2.gz HRHWNNLXCWJFSG-RUZDIDTESA-N 0 1 514.630 4.620 40 0 KJABMN CCC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013499400 553465558 /nfs/dbraw/zinc/46/55/58/553465558.db2.gz HRHWNNLXCWJFSG-VWLOTQADSA-N 0 1 514.630 4.620 40 0 KJABMN CCC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013499413 553465613 /nfs/dbraw/zinc/46/56/13/553465613.db2.gz UBVSTNFACFUGHC-AREMUKBSSA-N 0 1 528.657 4.815 40 0 KJABMN CCC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013499414 553465591 /nfs/dbraw/zinc/46/55/91/553465591.db2.gz UBVSTNFACFUGHC-SANMLTNESA-N 0 1 528.657 4.815 40 0 KJABMN CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013500195 553465754 /nfs/dbraw/zinc/46/57/54/553465754.db2.gz BFNMRVCGNZQSBL-RUZDIDTESA-N 0 1 530.629 4.586 40 0 KJABMN CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013500196 553465749 /nfs/dbraw/zinc/46/57/49/553465749.db2.gz BFNMRVCGNZQSBL-VWLOTQADSA-N 0 1 530.629 4.586 40 0 KJABMN CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013500203 553465760 /nfs/dbraw/zinc/46/57/60/553465760.db2.gz KXUGFPMTDTVUHT-RUZDIDTESA-N 0 1 514.630 4.968 40 0 KJABMN CCC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013500204 553465772 /nfs/dbraw/zinc/46/57/72/553465772.db2.gz KXUGFPMTDTVUHT-VWLOTQADSA-N 0 1 514.630 4.968 40 0 KJABMN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013501218 553466489 /nfs/dbraw/zinc/46/64/89/553466489.db2.gz KLWSOMFAQSAASI-RUZDIDTESA-N 0 1 514.630 4.772 40 0 KJABMN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013501219 553466471 /nfs/dbraw/zinc/46/64/71/553466471.db2.gz KLWSOMFAQSAASI-VWLOTQADSA-N 0 1 514.630 4.772 40 0 KJABMN COc1ccc(OC)c([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000013514006 553468064 /nfs/dbraw/zinc/46/80/64/553468064.db2.gz YSHCDVHRSBXTKW-VABKMULXSA-N 0 1 509.356 4.517 40 0 KJABMN COc1ccc(S(=O)(=O)N(CCO)c2ccccc2CN(C)C/C=C\c2ccc(Cl)cc2)cc1 ZINC000013519416 553468244 /nfs/dbraw/zinc/46/82/44/553468244.db2.gz LLLQTDSSHZREGW-WAYWQWQTSA-N 0 1 501.048 4.681 40 0 KJABMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000013746942 561726839 /nfs/dbraw/zinc/72/68/39/561726839.db2.gz MOTJMGVDPWRKOC-XTBZXYEFSA-N 0 1 510.631 4.694 40 0 KJABMN CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000013768949 553489232 /nfs/dbraw/zinc/48/92/32/553489232.db2.gz XITPCMNFQGWLBM-QKDODKLFSA-N 0 1 502.567 4.934 40 0 KJABMN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000013787386 553490796 /nfs/dbraw/zinc/49/07/96/553490796.db2.gz IFYYYSKSSMBLCP-PVHODMMVSA-N 0 1 502.567 4.934 40 0 KJABMN CCCOc1ccc([C@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000013787386 553490794 /nfs/dbraw/zinc/49/07/94/553490794.db2.gz IFYYYSKSSMBLCP-PVHODMMVSA-N 0 1 502.567 4.934 40 0 KJABMN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000013806276 553491761 /nfs/dbraw/zinc/49/17/61/553491761.db2.gz YDNHMQNYNWAOBK-PVHODMMVSA-N 0 1 502.567 4.934 40 0 KJABMN CCCOc1ccc([C@H]2c3c(O)n(-c4cccc(OC)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000013806276 553491760 /nfs/dbraw/zinc/49/17/60/553491760.db2.gz YDNHMQNYNWAOBK-PVHODMMVSA-N 0 1 502.567 4.934 40 0 KJABMN COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)CC1 ZINC000014153260 553503250 /nfs/dbraw/zinc/50/32/50/553503250.db2.gz GZYNWQVUHYJBNC-UHFFFAOYSA-N 0 1 514.047 4.729 40 0 KJABMN COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1OC ZINC000014153628 553503477 /nfs/dbraw/zinc/50/34/77/553503477.db2.gz SLHZJDHBTQBBQT-UHFFFAOYSA-N 0 1 503.020 4.747 40 0 KJABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2Cl)c1C ZINC000014153719 553503656 /nfs/dbraw/zinc/50/36/56/553503656.db2.gz AUULLAROUORQSD-UHFFFAOYSA-N 0 1 502.011 4.859 40 0 KJABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2Cl)c1 ZINC000014153785 553503618 /nfs/dbraw/zinc/50/36/18/553503618.db2.gz VHSLOBHNXNDIHH-UHFFFAOYSA-N 0 1 502.011 4.859 40 0 KJABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2Cl)c1 ZINC000014153926 553503854 /nfs/dbraw/zinc/50/38/54/553503854.db2.gz UXVUHPXSZMBFOT-UHFFFAOYSA-N 0 1 502.011 4.859 40 0 KJABMN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000014154015 553503851 /nfs/dbraw/zinc/50/38/51/553503851.db2.gz OEFFCSVVAWLYBR-UHFFFAOYSA-N 0 1 521.620 4.849 40 0 KJABMN COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)CC1 ZINC000014154225 553504026 /nfs/dbraw/zinc/50/40/26/553504026.db2.gz ZHRYCJQTFKXEFO-UHFFFAOYSA-N 0 1 514.047 4.729 40 0 KJABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000014154889 553504573 /nfs/dbraw/zinc/50/45/73/553504573.db2.gz RUFDKZHBXUVJPH-UHFFFAOYSA-N 0 1 527.668 4.613 40 0 KJABMN COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1OC ZINC000014155111 553504770 /nfs/dbraw/zinc/50/47/70/553504770.db2.gz IIXSSANWJWACNK-UHFFFAOYSA-N 0 1 503.020 4.747 40 0 KJABMN Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000014155219 553504909 /nfs/dbraw/zinc/50/49/09/553504909.db2.gz IRRFVZPKJDZSJC-UHFFFAOYSA-N 0 1 525.030 4.808 40 0 KJABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2Cl)cc1C ZINC000014155461 553505165 /nfs/dbraw/zinc/50/51/65/553505165.db2.gz KGNDKEYUWWLXTC-UHFFFAOYSA-N 0 1 502.011 4.859 40 0 KJABMN COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)CC1 ZINC000014155480 553505179 /nfs/dbraw/zinc/50/51/79/553505179.db2.gz QBOSCSIKTONIED-UHFFFAOYSA-N 0 1 514.047 4.729 40 0 KJABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2Cl)c1C ZINC000014155556 553505156 /nfs/dbraw/zinc/50/51/56/553505156.db2.gz WKXGAMUTAPRNLR-UHFFFAOYSA-N 0 1 502.011 4.859 40 0 KJABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)c(OC)c1 ZINC000014400503 553515426 /nfs/dbraw/zinc/51/54/26/553515426.db2.gz YFCCXRBVYSOVHS-UHFFFAOYSA-N 0 1 504.992 4.956 40 0 KJABMN C[C@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000014943696 553521756 /nfs/dbraw/zinc/52/17/56/553521756.db2.gz BSLNTCMTDKFTLK-RNHSVQDQSA-N 0 1 506.389 4.533 40 0 KJABMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OC(C)C ZINC000015231363 553530049 /nfs/dbraw/zinc/53/00/49/553530049.db2.gz OTWANJUNNDVUMD-LZYBPNLTSA-N 0 1 507.381 4.605 40 0 KJABMN C[C@H]1N[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000015320417 553531842 /nfs/dbraw/zinc/53/18/42/553531842.db2.gz SIZOWOMSYOWCDN-RVPUXHFISA-N 0 1 505.549 4.519 40 0 KJABMN COc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000016189127 553556114 /nfs/dbraw/zinc/55/61/14/553556114.db2.gz PCAUNWHVLMDEEO-UHFFFAOYSA-N 0 1 525.074 4.806 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)cc2)n1 ZINC000016806086 553583158 /nfs/dbraw/zinc/58/31/58/553583158.db2.gz DLFURTSLXATRHJ-UHFFFAOYSA-N 0 1 510.579 4.757 40 0 KJABMN CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(OCC)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000017747831 553599691 /nfs/dbraw/zinc/59/96/91/553599691.db2.gz YRKQSZPBURBSRY-QKDODKLFSA-N 0 1 502.567 4.934 40 0 KJABMN CCCOc1ccc([C@H]2c3c(O)n(-c4cccc(OCC)c4)c(O)c3ON2c2ccccc2)cc1OC ZINC000017747831 553599689 /nfs/dbraw/zinc/59/96/89/553599689.db2.gz YRKQSZPBURBSRY-QKDODKLFSA-N 0 1 502.567 4.934 40 0 KJABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000017917673 553600738 /nfs/dbraw/zinc/60/07/38/553600738.db2.gz DPSCPAUNQJIQFK-VABKMULXSA-N 0 1 509.356 4.517 40 0 KJABMN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018037919 553601822 /nfs/dbraw/zinc/60/18/22/553601822.db2.gz HWJJTOQXICMKRM-PVHODMMVSA-N 0 1 502.567 4.934 40 0 KJABMN CCCOc1ccc([C@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000018037919 553601820 /nfs/dbraw/zinc/60/18/20/553601820.db2.gz HWJJTOQXICMKRM-PVHODMMVSA-N 0 1 502.567 4.934 40 0 KJABMN COc1cc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000018066737 553603123 /nfs/dbraw/zinc/60/31/23/553603123.db2.gz XBBIEGFKVNGMRY-GIWBLDEGSA-N 0 1 509.356 4.523 40 0 KJABMN COc1cc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000018143360 553606286 /nfs/dbraw/zinc/60/62/86/553606286.db2.gz GLCNHWBHNNLGNE-KCHLEUMXSA-N 0 1 520.541 4.966 40 0 KJABMN O[C@H](COc1c(F)cc(Br)cc1F)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019362667 553613683 /nfs/dbraw/zinc/61/36/83/553613683.db2.gz MQIMAGKWBAYBIE-QFIPXVFZSA-N 0 1 517.414 4.874 40 0 KJABMN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3OC)cc2)cc1 ZINC000019932293 553635422 /nfs/dbraw/zinc/63/54/22/553635422.db2.gz MHRAQHKCBSVWIL-INIZCTEOSA-N 0 1 502.614 4.633 40 0 KJABMN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3OC)cc2)cc1 ZINC000019932296 553635492 /nfs/dbraw/zinc/63/54/92/553635492.db2.gz MHRAQHKCBSVWIL-MRXNPFEDSA-N 0 1 502.614 4.633 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CSCc3cc(C)cc(C)c3)cc2)c1 ZINC000020061232 553674710 /nfs/dbraw/zinc/67/47/10/553674710.db2.gz CIXZYQMRRCCJAC-UHFFFAOYSA-N 0 1 500.642 4.993 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(OC)c(OC)c2)cc1 ZINC000020104906 553689080 /nfs/dbraw/zinc/68/90/80/553689080.db2.gz SMGGOSKZJVKVEM-UHFFFAOYSA-N 0 1 502.614 4.552 40 0 KJABMN O=C(Nc1ccc(I)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241827 553626726 /nfs/dbraw/zinc/62/67/26/553626726.db2.gz TVAOLLRFWZXLPW-UHFFFAOYSA-N 0 1 511.407 4.861 40 0 KJABMN Cc1ccc([C@@H]2N(C(=O)CSc3nc4ccc(C)cc4[nH]3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020366988 553643301 /nfs/dbraw/zinc/64/33/01/553643301.db2.gz HDQAHZGSRAEKPN-AREMUKBSSA-N 0 1 520.680 4.812 40 0 KJABMN Cc1ccc([C@H]2N(C(=O)CSc3nc4ccc(C)cc4[nH]3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020366993 553643254 /nfs/dbraw/zinc/64/32/54/553643254.db2.gz HDQAHZGSRAEKPN-SANMLTNESA-N 0 1 520.680 4.812 40 0 KJABMN CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c(Br)c1 ZINC000020458795 553654347 /nfs/dbraw/zinc/65/43/47/553654347.db2.gz JVAVOSPLMWSAQO-UHFFFAOYSA-N 0 1 504.406 4.786 40 0 KJABMN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000020458813 553654307 /nfs/dbraw/zinc/65/43/07/553654307.db2.gz LXVOBYGLBOASFE-OAQYLSRUSA-N 0 1 504.992 4.954 40 0 KJABMN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000020458815 553654299 /nfs/dbraw/zinc/65/42/99/553654299.db2.gz LXVOBYGLBOASFE-NRFANRHFSA-N 0 1 504.992 4.954 40 0 KJABMN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c(Br)c1 ZINC000020461658 553656145 /nfs/dbraw/zinc/65/61/45/553656145.db2.gz XMKJCMIKSOYOGT-UHFFFAOYSA-N 0 1 518.433 4.960 40 0 KJABMN CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3OC)cc2)cc1OCC ZINC000020491804 553665491 /nfs/dbraw/zinc/66/54/91/553665491.db2.gz XTSVIKHFBNZYCP-UHFFFAOYSA-N 0 1 528.627 4.873 40 0 KJABMN CCCCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000020583468 553676691 /nfs/dbraw/zinc/67/66/91/553676691.db2.gz BTARBYGTKJGGRC-NDEPHWFRSA-N 0 1 525.649 4.683 40 0 KJABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000021595470 553714615 /nfs/dbraw/zinc/71/46/15/553714615.db2.gz YOCSDGVYZMADAW-UHFFFAOYSA-N 0 1 527.046 4.574 40 0 KJABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000021596135 553715248 /nfs/dbraw/zinc/71/52/48/553715248.db2.gz AWYFUXQWNMYJRA-FMIVXFBMSA-N 0 1 524.415 4.899 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000022516005 553743648 /nfs/dbraw/zinc/74/36/48/553743648.db2.gz OQHIOYVSNUPXJM-UHFFFAOYSA-N 0 1 506.609 4.701 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000022522344 553744213 /nfs/dbraw/zinc/74/42/13/553744213.db2.gz FRTBFEHHJLFEND-QGZVFWFLSA-N 0 1 516.641 4.941 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000022522351 553744346 /nfs/dbraw/zinc/74/43/46/553744346.db2.gz FRTBFEHHJLFEND-KRWDZBQOSA-N 0 1 516.641 4.941 40 0 KJABMN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000022525786 553744902 /nfs/dbraw/zinc/74/49/02/553744902.db2.gz NHPZVPCKUUSRRA-JOCHJYFZSA-N 0 1 504.992 4.954 40 0 KJABMN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000022525794 553744927 /nfs/dbraw/zinc/74/49/27/553744927.db2.gz NHPZVPCKUUSRRA-QFIPXVFZSA-N 0 1 504.992 4.954 40 0 KJABMN CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)cc1OCC ZINC000022527716 553745232 /nfs/dbraw/zinc/74/52/32/553745232.db2.gz OQIGWAUDDSBHNH-UHFFFAOYSA-N 0 1 528.627 4.873 40 0 KJABMN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(Br)c1 ZINC000022532709 553745844 /nfs/dbraw/zinc/74/58/44/553745844.db2.gz KOTVQNMHSFZYKV-UHFFFAOYSA-N 0 1 518.433 4.960 40 0 KJABMN Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)cc2)n1 ZINC000022534178 553745864 /nfs/dbraw/zinc/74/58/64/553745864.db2.gz KPCKAUZGMMBVSZ-UHFFFAOYSA-N 0 1 527.650 4.705 40 0 KJABMN O=C(NCCCN1CCN(CCCNC(=O)Nc2ccc(Br)cc2)CC1)Nc1ccc(Br)cc1 ZINC000022584804 553747446 /nfs/dbraw/zinc/74/74/46/553747446.db2.gz NPEOEWIHBHMVES-UHFFFAOYSA-N 0 1 596.368 4.553 40 0 KJABMN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866295 553763408 /nfs/dbraw/zinc/76/34/08/553763408.db2.gz LODJIAWLCDLGFN-ZQAZVOLISA-N 0 1 605.743 4.589 40 0 KJABMN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866301 553763480 /nfs/dbraw/zinc/76/34/80/553763480.db2.gz LODJIAWLCDLGFN-CPBHLAHYSA-N 0 1 605.743 4.589 40 0 KJABMN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866352 553763438 /nfs/dbraw/zinc/76/34/38/553763438.db2.gz LODJIAWLCDLGFN-RYCFQHDISA-N 0 1 605.743 4.589 40 0 KJABMN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866358 553763372 /nfs/dbraw/zinc/76/33/72/553763372.db2.gz LODJIAWLCDLGFN-CYTLCNBWSA-N 0 1 605.743 4.589 40 0 KJABMN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866427 553763677 /nfs/dbraw/zinc/76/36/77/553763677.db2.gz MZCDFWGCMKBEGP-ZQAZVOLISA-N 0 1 589.744 4.753 40 0 KJABMN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866446 553763732 /nfs/dbraw/zinc/76/37/32/553763732.db2.gz MZCDFWGCMKBEGP-CPBHLAHYSA-N 0 1 589.744 4.753 40 0 KJABMN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866539 553764133 /nfs/dbraw/zinc/76/41/33/553764133.db2.gz MZCDFWGCMKBEGP-RYCFQHDISA-N 0 1 589.744 4.753 40 0 KJABMN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866561 553764169 /nfs/dbraw/zinc/76/41/69/553764169.db2.gz MZCDFWGCMKBEGP-CYTLCNBWSA-N 0 1 589.744 4.753 40 0 KJABMN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869619 553764693 /nfs/dbraw/zinc/76/46/93/553764693.db2.gz SMRBXHOACNOIKX-ZQAZVOLISA-N 0 1 589.744 4.807 40 0 KJABMN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869632 553764730 /nfs/dbraw/zinc/76/47/30/553764730.db2.gz SMRBXHOACNOIKX-CPBHLAHYSA-N 0 1 589.744 4.807 40 0 KJABMN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869702 553764622 /nfs/dbraw/zinc/76/46/22/553764622.db2.gz SMRBXHOACNOIKX-RYCFQHDISA-N 0 1 589.744 4.807 40 0 KJABMN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869713 553764657 /nfs/dbraw/zinc/76/46/57/553764657.db2.gz SMRBXHOACNOIKX-CYTLCNBWSA-N 0 1 589.744 4.807 40 0 KJABMN Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869768 553765042 /nfs/dbraw/zinc/76/50/42/553765042.db2.gz IBXXLWFUCBAXIM-UVMMSNCQSA-N 0 1 589.744 4.807 40 0 KJABMN Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869783 553764992 /nfs/dbraw/zinc/76/49/92/553764992.db2.gz IBXXLWFUCBAXIM-YDYNHKSESA-N 0 1 589.744 4.807 40 0 KJABMN Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869847 553765020 /nfs/dbraw/zinc/76/50/20/553765020.db2.gz IBXXLWFUCBAXIM-QPQHGXMVSA-N 0 1 589.744 4.807 40 0 KJABMN Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869860 553765030 /nfs/dbraw/zinc/76/50/30/553765030.db2.gz IBXXLWFUCBAXIM-LHXZUMEBSA-N 0 1 589.744 4.807 40 0 KJABMN Cc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000022870154 553765026 /nfs/dbraw/zinc/76/50/26/553765026.db2.gz COLRNPKYMIVMQZ-ZQAZVOLISA-N 0 1 589.744 4.807 40 0 KJABMN Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000022870172 553765324 /nfs/dbraw/zinc/76/53/24/553765324.db2.gz COLRNPKYMIVMQZ-CPBHLAHYSA-N 0 1 589.744 4.807 40 0 KJABMN Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000022870254 553765292 /nfs/dbraw/zinc/76/52/92/553765292.db2.gz COLRNPKYMIVMQZ-RYCFQHDISA-N 0 1 589.744 4.807 40 0 KJABMN Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000022870275 553765308 /nfs/dbraw/zinc/76/53/08/553765308.db2.gz COLRNPKYMIVMQZ-CYTLCNBWSA-N 0 1 589.744 4.807 40 0 KJABMN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc12 ZINC000022870353 553765237 /nfs/dbraw/zinc/76/52/37/553765237.db2.gz DXIFKXOZNCBAKA-UVMMSNCQSA-N 0 1 589.744 4.807 40 0 KJABMN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc12 ZINC000022870363 553765557 /nfs/dbraw/zinc/76/55/57/553765557.db2.gz DXIFKXOZNCBAKA-YDYNHKSESA-N 0 1 589.744 4.807 40 0 KJABMN Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc12 ZINC000022871623 553765563 /nfs/dbraw/zinc/76/55/63/553765563.db2.gz DXIFKXOZNCBAKA-QPQHGXMVSA-N 0 1 589.744 4.807 40 0 KJABMN Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc12 ZINC000022871633 553765598 /nfs/dbraw/zinc/76/55/98/553765598.db2.gz DXIFKXOZNCBAKA-LHXZUMEBSA-N 0 1 589.744 4.807 40 0 KJABMN Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000022872716 553765846 /nfs/dbraw/zinc/76/58/46/553765846.db2.gz RNYHEOUSEFPOGD-ZQAZVOLISA-N 0 1 589.744 4.807 40 0 KJABMN Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000022872726 553765826 /nfs/dbraw/zinc/76/58/26/553765826.db2.gz RNYHEOUSEFPOGD-CPBHLAHYSA-N 0 1 589.744 4.807 40 0 KJABMN Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000022872765 553765866 /nfs/dbraw/zinc/76/58/66/553765866.db2.gz RNYHEOUSEFPOGD-RYCFQHDISA-N 0 1 589.744 4.807 40 0 KJABMN Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000022872774 553765853 /nfs/dbraw/zinc/76/58/53/553765853.db2.gz RNYHEOUSEFPOGD-CYTLCNBWSA-N 0 1 589.744 4.807 40 0 KJABMN CC(C)CCn1c2nnc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2c2ccccc2c1=O ZINC000022927336 553767553 /nfs/dbraw/zinc/76/75/53/553767553.db2.gz XUHSLUHVGQJYPI-UHFFFAOYSA-N 0 1 520.681 4.998 40 0 KJABMN CSc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1C(=O)N1CCOCC1 ZINC000026117711 553816832 /nfs/dbraw/zinc/81/68/32/553816832.db2.gz BOKLQRPUNSOTSW-UHFFFAOYSA-N 0 1 500.667 4.833 40 0 KJABMN CSCC[C@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000029749069 553850969 /nfs/dbraw/zinc/85/09/69/553850969.db2.gz DZHLJYMOQCOYLT-LBCJCTBSSA-N 0 1 532.065 4.613 40 0 KJABMN COc1cc(OC)cc(-c2n[nH]c(NC(=O)c3cccc(N4C(=O)N[C@@H]5C[C@@]4(C)Oc4ccccc45)c3)n2)c1 ZINC000029749587 553852296 /nfs/dbraw/zinc/85/22/96/553852296.db2.gz NBVSBXNEVIJXAG-SKCUWOTOSA-N 0 1 526.553 4.511 40 0 KJABMN COc1cc(OC)cc(-c2n[nH]c(NC(=O)c3cccc(N4C(=O)N[C@H]5C[C@]4(C)Oc4ccccc45)c3)n2)c1 ZINC000029749589 553852193 /nfs/dbraw/zinc/85/21/93/553852193.db2.gz NBVSBXNEVIJXAG-DWACAAAGSA-N 0 1 526.553 4.511 40 0 KJABMN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000030752390 553856020 /nfs/dbraw/zinc/85/60/20/553856020.db2.gz FUAWDPRZPVEBQE-JOCHJYFZSA-N 0 1 504.992 4.954 40 0 KJABMN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000030752394 553855911 /nfs/dbraw/zinc/85/59/11/553855911.db2.gz FUAWDPRZPVEBQE-QFIPXVFZSA-N 0 1 504.992 4.954 40 0 KJABMN O=C(COc1ccc2ccccc2c1Br)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000030754632 553856506 /nfs/dbraw/zinc/85/65/06/553856506.db2.gz ZSQVZRLNALCSEF-UHFFFAOYSA-N 0 1 512.385 4.816 40 0 KJABMN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000030758988 553857200 /nfs/dbraw/zinc/85/72/00/553857200.db2.gz IAKXHJYLRNOXQI-OAQYLSRUSA-N 0 1 504.992 4.954 40 0 KJABMN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000030758992 553857087 /nfs/dbraw/zinc/85/70/87/553857087.db2.gz IAKXHJYLRNOXQI-NRFANRHFSA-N 0 1 504.992 4.954 40 0 KJABMN O=C(COc1ccc2ccccc2c1Br)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000030858117 553858639 /nfs/dbraw/zinc/85/86/39/553858639.db2.gz YDNQVBCFXMFDJQ-UHFFFAOYSA-N 0 1 512.385 4.816 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc54)cc3)cc2)n1 ZINC000030871467 553860412 /nfs/dbraw/zinc/86/04/12/553860412.db2.gz VTTCTUSHGLPBTE-UHFFFAOYSA-N 0 1 513.623 4.709 40 0 KJABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccc(Br)cc1 ZINC000032116348 553864766 /nfs/dbraw/zinc/86/47/66/553864766.db2.gz BNTOMKOSMPFXFJ-UHFFFAOYSA-N 0 1 509.017 4.807 40 0 KJABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccccc1Br ZINC000032116532 553864949 /nfs/dbraw/zinc/86/49/49/553864949.db2.gz FMZINUIQWGZASJ-UHFFFAOYSA-N 0 1 509.017 4.807 40 0 KJABMN Cc1cc(OCC(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)ccc1Cl ZINC000032116647 553864938 /nfs/dbraw/zinc/86/49/38/553864938.db2.gz WQICRNZXTNGHAX-UHFFFAOYSA-N 0 1 508.619 4.771 40 0 KJABMN Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1cc(Br)c(O)c(Br)c1 ZINC000032116650 553865024 /nfs/dbraw/zinc/86/50/24/553865024.db2.gz DFPKZOWUXZWQCV-UHFFFAOYSA-N 0 1 508.619 4.771 40 0 KJABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1cccc(Br)c1 ZINC000032116698 553865284 /nfs/dbraw/zinc/86/52/84/553865284.db2.gz VZUHKKFGQWGWTF-UHFFFAOYSA-N 0 1 509.017 4.807 40 0 KJABMN CC(C)c1ccc(OCC(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)cc1 ZINC000032116710 553865350 /nfs/dbraw/zinc/86/53/50/553865350.db2.gz RAYCIVHFXJXLAH-UHFFFAOYSA-N 0 1 502.228 4.933 40 0 KJABMN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000033621458 553964689 /nfs/dbraw/zinc/96/46/89/553964689.db2.gz GINHIXLBLKEUSX-BQYQJAHWSA-N 0 1 509.242 4.624 40 0 KJABMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(I)cc3C(C)C)n2)cc1 ZINC000033757610 553972403 /nfs/dbraw/zinc/97/24/03/553972403.db2.gz AZAWDCNRADMKED-UHFFFAOYSA-N 0 1 508.385 4.939 40 0 KJABMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000034026476 562038147 /nfs/dbraw/zinc/03/81/47/562038147.db2.gz MOTJMGVDPWRKOC-UIUQJESISA-N 0 1 510.631 4.694 40 0 KJABMN COc1ccc(NC(=O)OC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccc(N(C)C)cc3)nc(C)n2)cc1 ZINC000035415845 554049538 /nfs/dbraw/zinc/04/95/38/554049538.db2.gz YDWVJJJYJRWVNE-NZJKTDFXSA-N 0 1 501.631 4.953 40 0 biogenic,in-vitro KJABMN COc1ccc(NC(=O)OC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccc(N(C)C)cc3)nc(C)n2)cc1 ZINC000035415845 554049536 /nfs/dbraw/zinc/04/95/36/554049536.db2.gz YDWVJJJYJRWVNE-NZJKTDFXSA-N 0 1 501.631 4.953 40 0 biogenic,in-vitro KJABMN CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=NCCN3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000036617830 554226350 /nfs/dbraw/zinc/22/63/50/554226350.db2.gz VABRVOGSSUESFS-HHHXNRCGSA-N 0 1 503.986 4.887 40 0 KJABMN CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=NCCN3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000036617831 554226312 /nfs/dbraw/zinc/22/63/12/554226312.db2.gz VABRVOGSSUESFS-MHZLTWQESA-N 0 1 503.986 4.887 40 0 KJABMN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)cc1 ZINC000038752472 554275500 /nfs/dbraw/zinc/27/55/00/554275500.db2.gz SMRCNXBMXCMGHH-INIZCTEOSA-N 0 1 502.614 4.633 40 0 KJABMN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)cc1 ZINC000038752475 554275432 /nfs/dbraw/zinc/27/54/32/554275432.db2.gz SMRCNXBMXCMGHH-MRXNPFEDSA-N 0 1 502.614 4.633 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039755650 554280167 /nfs/dbraw/zinc/28/01/67/554280167.db2.gz WWNQMABOXGGTFL-UHFFFAOYSA-N 0 1 509.028 4.587 40 0 KJABMN CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(Br)c1 ZINC000040943867 554291762 /nfs/dbraw/zinc/29/17/62/554291762.db2.gz NNFNXWDVRCZMGZ-UHFFFAOYSA-N 0 1 504.406 4.786 40 0 KJABMN COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cc2)c(OC)c1 ZINC000044845711 554304372 /nfs/dbraw/zinc/30/43/72/554304372.db2.gz FKJCJAIXOHEARQ-HXUWFJFHSA-N 0 1 523.655 4.989 40 0 KJABMN COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cc2)c(OC)c1 ZINC000044845716 554304317 /nfs/dbraw/zinc/30/43/17/554304317.db2.gz FKJCJAIXOHEARQ-FQEVSTJZSA-N 0 1 523.655 4.989 40 0 KJABMN COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccccc2)cc1 ZINC000044848858 554304994 /nfs/dbraw/zinc/30/49/94/554304994.db2.gz KSJVUHZYUQYCNA-XIEYBQDHSA-N 0 1 500.580 4.774 40 0 KJABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCc5ccccc54)cc3)cc2)n1 ZINC000044883047 554307548 /nfs/dbraw/zinc/30/75/48/554307548.db2.gz IMTSFUMNYLRXIU-UHFFFAOYSA-N 0 1 513.623 4.791 40 0 KJABMN COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cc2)c1 ZINC000044884424 554307766 /nfs/dbraw/zinc/30/77/66/554307766.db2.gz NFVKBNPOFARGQT-HXUWFJFHSA-N 0 1 523.655 4.989 40 0 KJABMN COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cc2)c1 ZINC000044884427 554307812 /nfs/dbraw/zinc/30/78/12/554307812.db2.gz NFVKBNPOFARGQT-FQEVSTJZSA-N 0 1 523.655 4.989 40 0 KJABMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000058482296 562698043 /nfs/dbraw/zinc/69/80/43/562698043.db2.gz MOTJMGVDPWRKOC-KEKPKEOLSA-N 0 1 510.631 4.694 40 0 KJABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c1 ZINC000059294375 554387720 /nfs/dbraw/zinc/38/77/20/554387720.db2.gz PBEYXZNTYPFSEQ-UHFFFAOYSA-N 0 1 514.837 4.820 40 0 KJABMN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000059780899 554429727 /nfs/dbraw/zinc/42/97/27/554429727.db2.gz ZUIJUHAXSZCONR-XIFFEERXSA-N 0 1 617.750 4.542 40 0 KJABMN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000059780903 554429610 /nfs/dbraw/zinc/42/96/10/554429610.db2.gz ZUIJUHAXSZCONR-MGBGTMOVSA-N 0 1 617.750 4.542 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000059852406 554451160 /nfs/dbraw/zinc/45/11/60/554451160.db2.gz SGCFUMRQJVNTKN-UHFFFAOYSA-N 0 1 614.149 4.998 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000059852619 554452124 /nfs/dbraw/zinc/45/21/24/554452124.db2.gz MMLXXJDQDGSTEL-UHFFFAOYSA-N 0 1 585.107 4.987 40 0 KJABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)ccc2C)cc1 ZINC000059852715 554452446 /nfs/dbraw/zinc/45/24/46/554452446.db2.gz JDMBXVGJFZZALQ-UHFFFAOYSA-N 0 1 536.635 4.552 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000059852720 554452378 /nfs/dbraw/zinc/45/23/78/554452378.db2.gz VBUMIPHHGAFWSI-UHFFFAOYSA-N 0 1 600.122 4.690 40 0 KJABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)ccc2C)c1 ZINC000059852729 554452366 /nfs/dbraw/zinc/45/23/66/554452366.db2.gz ACIDNJBRMXBFIZ-UHFFFAOYSA-N 0 1 536.635 4.552 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)S(C)(=O)=O)cc2)n1 ZINC000059852737 554452389 /nfs/dbraw/zinc/45/23/89/554452389.db2.gz PQVUIFXUDJGAEK-UHFFFAOYSA-N 0 1 623.801 4.767 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(Cl)cc4)cc3)cc2)n1 ZINC000059852757 554452635 /nfs/dbraw/zinc/45/26/35/554452635.db2.gz QOJVYGDHEIYUJW-UHFFFAOYSA-N 0 1 586.095 4.625 40 0 KJABMN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059852810 554452698 /nfs/dbraw/zinc/45/26/98/554452698.db2.gz KVZXAKBQCBCBFF-UHFFFAOYSA-N 0 1 571.080 4.678 40 0 KJABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000059852900 554453293 /nfs/dbraw/zinc/45/32/93/554453293.db2.gz CDZMZVYNROLJHT-UHFFFAOYSA-N 0 1 566.101 4.705 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccco4)cc3)cc2)n1 ZINC000059852920 554453299 /nfs/dbraw/zinc/45/32/99/554453299.db2.gz FKDARYDIGDQMRA-AREMUKBSSA-N 0 1 563.661 4.514 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccco4)cc3)cc2)n1 ZINC000059852924 554453270 /nfs/dbraw/zinc/45/32/70/554453270.db2.gz FKDARYDIGDQMRA-SANMLTNESA-N 0 1 563.661 4.514 40 0 KJABMN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000059852935 554453213 /nfs/dbraw/zinc/45/32/13/554453213.db2.gz MPYOWJRTSQMMLR-UHFFFAOYSA-N 0 1 606.513 4.803 40 0 KJABMN CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059852940 554453197 /nfs/dbraw/zinc/45/31/97/554453197.db2.gz PNUIDJKSOPMTLJ-UHFFFAOYSA-N 0 1 564.689 4.587 40 0 KJABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059852964 554453232 /nfs/dbraw/zinc/45/32/32/554453232.db2.gz PIWBFVXZWLBRQH-UHFFFAOYSA-N 0 1 601.106 4.769 40 0 KJABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000059852971 554453218 /nfs/dbraw/zinc/45/32/18/554453218.db2.gz ONKNCXNGEKMNIQ-UHFFFAOYSA-N 0 1 606.513 4.727 40 0 KJABMN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc2)cc1 ZINC000059853160 554453852 /nfs/dbraw/zinc/45/38/52/554453852.db2.gz CNQBLHIYFIJSIY-UHFFFAOYSA-N 0 1 597.744 4.694 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2cccc(Cl)c2C)cc1 ZINC000059853185 554453807 /nfs/dbraw/zinc/45/38/07/554453807.db2.gz HJHXJRBMGFVGQT-UHFFFAOYSA-N 0 1 614.149 4.998 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccc(C)cc2C)cc1 ZINC000059853250 554454083 /nfs/dbraw/zinc/45/40/83/554454083.db2.gz KWEVPTAXCXFEEC-UHFFFAOYSA-N 0 1 564.689 4.642 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(C)cc2C)cc1 ZINC000059853418 554454057 /nfs/dbraw/zinc/45/40/57/554454057.db2.gz DLQOSKBLXVYGSG-UHFFFAOYSA-N 0 1 564.689 4.642 40 0 KJABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000059853421 554454413 /nfs/dbraw/zinc/45/44/13/554454413.db2.gz UVZKOSLCUYABCG-UHFFFAOYSA-N 0 1 579.704 4.543 40 0 KJABMN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000059853454 554454427 /nfs/dbraw/zinc/45/44/27/554454427.db2.gz MKPWUMPWPVKTGM-UHFFFAOYSA-N 0 1 600.122 4.690 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(Cl)c3)cc2)n1 ZINC000059853490 554454372 /nfs/dbraw/zinc/45/43/72/554454372.db2.gz BTOBOPVLZVJWOC-UHFFFAOYSA-N 0 1 572.068 4.601 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059853560 554454639 /nfs/dbraw/zinc/45/46/39/554454639.db2.gz OIMONDQQHPSITO-UHFFFAOYSA-N 0 1 599.694 4.925 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000059853744 554454941 /nfs/dbraw/zinc/45/49/41/554454941.db2.gz SQLXQUWUGGXDBB-UHFFFAOYSA-N 0 1 579.704 4.543 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)c1 ZINC000059858384 554455642 /nfs/dbraw/zinc/45/56/42/554455642.db2.gz KSYURDTYAKLFQS-UHFFFAOYSA-N 0 1 581.672 4.582 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059858421 554455592 /nfs/dbraw/zinc/45/55/92/554455592.db2.gz MQIJCRKOLPOHQW-UHFFFAOYSA-N 0 1 583.663 4.778 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3OC)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059858433 554455636 /nfs/dbraw/zinc/45/56/36/554455636.db2.gz YKFZNLPPJOSNRA-UHFFFAOYSA-N 0 1 625.725 4.656 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000059881849 554457576 /nfs/dbraw/zinc/45/75/76/554457576.db2.gz ZIWLXRYALRVZMO-UHFFFAOYSA-N 0 1 606.044 4.881 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000059882152 554457780 /nfs/dbraw/zinc/45/77/80/554457780.db2.gz APTRERWTTNYVJH-UHFFFAOYSA-N 0 1 613.689 4.786 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059882245 554458195 /nfs/dbraw/zinc/45/81/95/554458195.db2.gz BKCFLUZSXFXRML-UHFFFAOYSA-N 0 1 609.726 4.955 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000059882384 554458121 /nfs/dbraw/zinc/45/81/21/554458121.db2.gz OIZFPBCPKYFKQU-UHFFFAOYSA-N 0 1 609.726 4.955 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059882692 554458718 /nfs/dbraw/zinc/45/87/18/554458718.db2.gz BIDBUKBEKULVDC-UHFFFAOYSA-N 0 1 595.699 4.647 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000059882701 554458711 /nfs/dbraw/zinc/45/87/11/554458711.db2.gz ZPIKUCIIVNJMCQ-UHFFFAOYSA-N 0 1 625.725 4.656 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059882902 554459238 /nfs/dbraw/zinc/45/92/38/554459238.db2.gz XVKVJEDLTQOWMW-UHFFFAOYSA-N 0 1 616.117 4.992 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059882959 554459270 /nfs/dbraw/zinc/45/92/70/554459270.db2.gz WRRWCIPMQFOXCH-UHFFFAOYSA-N 0 1 579.700 4.947 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000059882977 554459282 /nfs/dbraw/zinc/45/92/82/554459282.db2.gz QWKFQQWNVNPJBK-UHFFFAOYSA-N 0 1 595.699 4.647 40 0 KJABMN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059883096 554459544 /nfs/dbraw/zinc/45/95/44/554459544.db2.gz GNGMFELYYAOIOJ-UHFFFAOYSA-N 0 1 625.725 4.656 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 ZINC000059883433 554460506 /nfs/dbraw/zinc/46/05/06/554460506.db2.gz GXMLYQFZIWZENW-UHFFFAOYSA-N 0 1 572.492 4.516 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000059883795 554461233 /nfs/dbraw/zinc/46/12/33/554461233.db2.gz PYRWPMGPHISFKF-UHFFFAOYSA-N 0 1 609.726 4.955 40 0 KJABMN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059884010 554461792 /nfs/dbraw/zinc/46/17/92/554461792.db2.gz DZHOLXDNLJPBAZ-UHFFFAOYSA-N 0 1 595.699 4.647 40 0 KJABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)c2ccc(C)cc2)cc1 ZINC000059884031 554461747 /nfs/dbraw/zinc/46/17/47/554461747.db2.gz WJVKOXKHBBDSLU-UHFFFAOYSA-N 0 1 625.725 4.656 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000059884035 554461778 /nfs/dbraw/zinc/46/17/78/554461778.db2.gz XAABJFNOWRIIRL-UHFFFAOYSA-N 0 1 609.726 4.955 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059884273 554462026 /nfs/dbraw/zinc/46/20/26/554462026.db2.gz CUCFHYOIUGGBRZ-UHFFFAOYSA-N 0 1 609.726 4.955 40 0 KJABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)c2ccc(C)cc2)cc1 ZINC000059884276 554461981 /nfs/dbraw/zinc/46/19/81/554461981.db2.gz IHAVTWBMMGRIPE-UHFFFAOYSA-N 0 1 609.726 4.955 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059884320 554462462 /nfs/dbraw/zinc/46/24/62/554462462.db2.gz ZGPZLCZNXSMVSM-UHFFFAOYSA-N 0 1 595.699 4.647 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000059884540 554462704 /nfs/dbraw/zinc/46/27/04/554462704.db2.gz IGEGUYZPJZKLPL-UHFFFAOYSA-N 0 1 606.044 4.881 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000059884612 554463016 /nfs/dbraw/zinc/46/30/16/554463016.db2.gz FUCKMDDXYPKFKS-UHFFFAOYSA-N 0 1 583.663 4.778 40 0 KJABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)c2ccccc2)cc1 ZINC000059884680 554463047 /nfs/dbraw/zinc/46/30/47/554463047.db2.gz KJBFHRBHEZLRHC-UHFFFAOYSA-N 0 1 595.699 4.647 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2)c1 ZINC000059884851 554463331 /nfs/dbraw/zinc/46/33/31/554463331.db2.gz BRSOVFWEFPNDLB-UHFFFAOYSA-N 0 1 622.043 4.582 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059885069 554463973 /nfs/dbraw/zinc/46/39/73/554463973.db2.gz YANDYWTWZHPMTO-UHFFFAOYSA-N 0 1 609.726 4.955 40 0 KJABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059885134 554463903 /nfs/dbraw/zinc/46/39/03/554463903.db2.gz OVRYPEJZLGYXGT-UHFFFAOYSA-N 0 1 595.699 4.647 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000059885191 554464118 /nfs/dbraw/zinc/46/41/18/554464118.db2.gz IYILMASIUMTWSS-UHFFFAOYSA-N 0 1 622.043 4.582 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059885843 554465424 /nfs/dbraw/zinc/46/54/24/554465424.db2.gz DIKYLKKTRLBJKM-UHFFFAOYSA-N 0 1 616.117 4.992 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059886161 554466062 /nfs/dbraw/zinc/46/60/62/554466062.db2.gz UKYLQXUFJRGMEM-UHFFFAOYSA-N 0 1 609.726 4.955 40 0 KJABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059886211 554466245 /nfs/dbraw/zinc/46/62/45/554466245.db2.gz LHPLQCGDPNWJRA-UHFFFAOYSA-N 0 1 625.725 4.737 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000059886383 554466713 /nfs/dbraw/zinc/46/67/13/554466713.db2.gz OJJZMSRNNQKWKI-UHFFFAOYSA-N 0 1 579.700 4.947 40 0 KJABMN CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1)S(=O)(=O)c1ccccc1 ZINC000059886840 554467721 /nfs/dbraw/zinc/46/77/21/554467721.db2.gz YKXYNBNMJSJRAW-UHFFFAOYSA-N 0 1 609.726 4.901 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)cc2)c1 ZINC000059886960 554467651 /nfs/dbraw/zinc/46/76/51/554467651.db2.gz CSECDRQVXUCHED-UHFFFAOYSA-N 0 1 595.699 4.723 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059886964 554467704 /nfs/dbraw/zinc/46/77/04/554467704.db2.gz VSWLCQUPHLZFLK-UHFFFAOYSA-N 0 1 579.700 4.947 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059887056 554468112 /nfs/dbraw/zinc/46/81/12/554468112.db2.gz VNFLDRLRXSOEDX-UHFFFAOYSA-N 0 1 609.726 4.955 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000059887281 554468386 /nfs/dbraw/zinc/46/83/86/554468386.db2.gz MPCIPGAZEQETDF-UHFFFAOYSA-N 0 1 572.492 4.516 40 0 KJABMN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059887305 554468449 /nfs/dbraw/zinc/46/84/49/554468449.db2.gz AKLGWXIBOLWBRR-UHFFFAOYSA-N 0 1 609.726 4.955 40 0 KJABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1)S(=O)(=O)c1ccccc1 ZINC000059887598 554469010 /nfs/dbraw/zinc/46/90/10/554469010.db2.gz MSEPNXOUKYCXSX-UHFFFAOYSA-N 0 1 625.725 4.737 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059887773 554469773 /nfs/dbraw/zinc/46/97/73/554469773.db2.gz KWWKDRUBMVAWNP-UHFFFAOYSA-N 0 1 616.117 4.992 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000059887948 554470059 /nfs/dbraw/zinc/47/00/59/554470059.db2.gz RKPZUBMIFIXCOE-UHFFFAOYSA-N 0 1 579.700 4.947 40 0 KJABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059888128 554470329 /nfs/dbraw/zinc/47/03/29/554470329.db2.gz PBRUYEYZCDHUDD-UHFFFAOYSA-N 0 1 625.725 4.656 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3OC)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000059888494 554471243 /nfs/dbraw/zinc/47/12/43/554471243.db2.gz QERWQBZXZOTWAM-UHFFFAOYSA-N 0 1 625.725 4.656 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059888929 554472092 /nfs/dbraw/zinc/47/20/92/554472092.db2.gz QBIGEDJPWBCSSL-UHFFFAOYSA-N 0 1 595.699 4.647 40 0 KJABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)ccc2C)cc1C ZINC000059922813 554472678 /nfs/dbraw/zinc/47/26/78/554472678.db2.gz ZWMIVOHJVHWYQV-UHFFFAOYSA-N 0 1 550.662 4.861 40 0 KJABMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)c2)cc1 ZINC000059923190 554472878 /nfs/dbraw/zinc/47/28/78/554472878.db2.gz COZHHVJZSFVVKQ-UHFFFAOYSA-N 0 1 557.053 4.897 40 0 KJABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000059923346 554473188 /nfs/dbraw/zinc/47/31/88/554473188.db2.gz ZAACTGFLWWLFAS-UHFFFAOYSA-N 0 1 627.770 4.540 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000059923548 554473425 /nfs/dbraw/zinc/47/34/25/554473425.db2.gz PSLVFMZFGOHGBR-UHFFFAOYSA-N 0 1 593.731 4.852 40 0 KJABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059923568 554473457 /nfs/dbraw/zinc/47/34/57/554473457.db2.gz LCUNDNXLMKBNTD-UHFFFAOYSA-N 0 1 601.106 4.769 40 0 KJABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059923601 554473692 /nfs/dbraw/zinc/47/36/92/554473692.db2.gz BDYZFTRDHVQLPU-UHFFFAOYSA-N 0 1 601.106 4.769 40 0 KJABMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)cc2C)cc1 ZINC000059923644 554473718 /nfs/dbraw/zinc/47/37/18/554473718.db2.gz PJRSCLBDGLTEKF-UHFFFAOYSA-N 0 1 536.635 4.552 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000059923683 554473753 /nfs/dbraw/zinc/47/37/53/554473753.db2.gz KBQUAORSHTUGFP-AREMUKBSSA-N 0 1 580.091 4.957 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000059923689 554473697 /nfs/dbraw/zinc/47/36/97/554473697.db2.gz KBQUAORSHTUGFP-SANMLTNESA-N 0 1 580.091 4.957 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(OC)c(OC)c3)cc2)c1 ZINC000059923728 554474050 /nfs/dbraw/zinc/47/40/50/554474050.db2.gz WBYVLQPSMGTYDR-INIZCTEOSA-N 0 1 532.640 4.641 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(OC)c(OC)c3)cc2)c1 ZINC000059923730 554473980 /nfs/dbraw/zinc/47/39/80/554473980.db2.gz WBYVLQPSMGTYDR-MRXNPFEDSA-N 0 1 532.640 4.641 40 0 KJABMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc2Cl)cc1 ZINC000059923772 554474109 /nfs/dbraw/zinc/47/41/09/554474109.db2.gz XWFHTEGVMPFNKJ-UHFFFAOYSA-N 0 1 557.053 4.897 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000059923898 554474373 /nfs/dbraw/zinc/47/43/73/554474373.db2.gz NQTIGNVCISBVKU-UHFFFAOYSA-N 0 1 593.731 4.654 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000059924076 554474635 /nfs/dbraw/zinc/47/46/35/554474635.db2.gz XWGWRRABOSTFHR-NDEPHWFRSA-N 0 1 544.658 4.909 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000059924081 554474722 /nfs/dbraw/zinc/47/47/22/554474722.db2.gz XWGWRRABOSTFHR-MUUNZHRXSA-N 0 1 544.658 4.909 40 0 KJABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)ccc2C)c1C ZINC000059924190 554475066 /nfs/dbraw/zinc/47/50/66/554475066.db2.gz FSJJWFVXMFYKBH-UHFFFAOYSA-N 0 1 550.662 4.861 40 0 KJABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)ccc1C ZINC000059924223 554474966 /nfs/dbraw/zinc/47/49/66/554474966.db2.gz AGVXENAZGIYQDT-UHFFFAOYSA-N 0 1 536.635 4.552 40 0 KJABMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)c2)cc1 ZINC000059924228 554475029 /nfs/dbraw/zinc/47/50/29/554475029.db2.gz HRPVAAJKIQPWLW-UHFFFAOYSA-N 0 1 557.053 4.897 40 0 KJABMN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(C)cc2)cc1 ZINC000059924260 554474974 /nfs/dbraw/zinc/47/49/74/554474974.db2.gz CKCFNPVRAVEVET-UHFFFAOYSA-N 0 1 582.729 4.747 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2cccc(C)c2C)cc1 ZINC000059924642 554475875 /nfs/dbraw/zinc/47/58/75/554475875.db2.gz ILRXILJHCHWRBJ-UHFFFAOYSA-N 0 1 593.731 4.654 40 0 KJABMN CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000059924808 554476108 /nfs/dbraw/zinc/47/61/08/554476108.db2.gz SORNURVHHIWEDA-UHFFFAOYSA-N 0 1 597.744 4.775 40 0 KJABMN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000059924847 554476206 /nfs/dbraw/zinc/47/62/06/554476206.db2.gz OUGIXUSIDMVOCX-UHFFFAOYSA-N 0 1 578.112 4.803 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2cc(C)cc(C)c2)cc1 ZINC000060018001 554488869 /nfs/dbraw/zinc/48/88/69/554488869.db2.gz LCVRXWVNKWRUFE-UHFFFAOYSA-N 0 1 564.689 4.642 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000060018234 554489416 /nfs/dbraw/zinc/48/94/16/554489416.db2.gz URXODSKDKNFJBD-UHFFFAOYSA-N 0 1 585.107 4.987 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2cccc(C)c2C)cc1 ZINC000060018450 554489679 /nfs/dbraw/zinc/48/96/79/554489679.db2.gz JSLKPDOGVNJEJD-UHFFFAOYSA-N 0 1 564.689 4.642 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000060018459 554489669 /nfs/dbraw/zinc/48/96/69/554489669.db2.gz QXYUQDGILJZDHH-UHFFFAOYSA-N 0 1 543.026 4.589 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Br)cc3)cc2)n1 ZINC000060018538 554489993 /nfs/dbraw/zinc/48/99/93/554489993.db2.gz PSFFFMPSECCMRV-UHFFFAOYSA-N 0 1 521.462 4.529 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2cccc(Cl)c2C)cc1 ZINC000060018606 554489987 /nfs/dbraw/zinc/48/99/87/554489987.db2.gz QTSRSTQGWLHTKX-UHFFFAOYSA-N 0 1 585.107 4.987 40 0 KJABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)ccc2C)cc1C ZINC000060028127 554490228 /nfs/dbraw/zinc/49/02/28/554490228.db2.gz HLIURVHKRCXSHU-UHFFFAOYSA-N 0 1 550.662 4.861 40 0 KJABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)n1 ZINC000060028172 554490858 /nfs/dbraw/zinc/49/08/58/554490858.db2.gz ZWNVBUJXUPGEGS-MUUNZHRXSA-N 0 1 573.700 4.655 40 0 KJABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)n1 ZINC000060028173 554490787 /nfs/dbraw/zinc/49/07/87/554490787.db2.gz ZWNVBUJXUPGEGS-NDEPHWFRSA-N 0 1 573.700 4.655 40 0 KJABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)n1 ZINC000060028211 554491182 /nfs/dbraw/zinc/49/11/82/554491182.db2.gz BCJWORLGLCLEDY-HHHXNRCGSA-N 0 1 559.673 4.612 40 0 KJABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)n1 ZINC000060028212 554491132 /nfs/dbraw/zinc/49/11/32/554491132.db2.gz BCJWORLGLCLEDY-MHZLTWQESA-N 0 1 559.673 4.612 40 0 KJABMN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000060028214 554491102 /nfs/dbraw/zinc/49/11/02/554491102.db2.gz ZTSSJCGUDIWBMJ-UHFFFAOYSA-N 0 1 571.080 4.754 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000060028224 554491490 /nfs/dbraw/zinc/49/14/90/554491490.db2.gz GNWGNEROBCMMKW-UHFFFAOYSA-N 0 1 585.107 4.987 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000060028225 554491499 /nfs/dbraw/zinc/49/14/99/554491499.db2.gz GUHXIGICFMUUDJ-UHFFFAOYSA-N 0 1 564.689 4.642 40 0 KJABMN O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000060028227 554491403 /nfs/dbraw/zinc/49/14/03/554491403.db2.gz WLIDYWAGQPNXID-UHFFFAOYSA-N 0 1 575.043 4.509 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000060028301 554492039 /nfs/dbraw/zinc/49/20/39/554492039.db2.gz NYNXPSXPLQPHDZ-LJAQVGFWSA-N 0 1 558.685 4.951 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000060028302 554492033 /nfs/dbraw/zinc/49/20/33/554492033.db2.gz NYNXPSXPLQPHDZ-GDLZYMKVSA-N 0 1 558.685 4.951 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2cccc(Br)c2)cc1 ZINC000060028318 554492324 /nfs/dbraw/zinc/49/23/24/554492324.db2.gz ZGDUXCCUUBOSMB-UHFFFAOYSA-N 0 1 615.531 4.787 40 0 KJABMN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)c2C)cc1 ZINC000060028324 554492201 /nfs/dbraw/zinc/49/22/01/554492201.db2.gz DKZXRGRWSYPJMN-UHFFFAOYSA-N 0 1 536.635 4.552 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000060028331 554492261 /nfs/dbraw/zinc/49/22/61/554492261.db2.gz IREMWOZQPDWXKU-UHFFFAOYSA-N 0 1 614.149 4.998 40 0 KJABMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc2C)cc1 ZINC000060028625 554494039 /nfs/dbraw/zinc/49/40/39/554494039.db2.gz RVXPWMVRNHNKPD-UHFFFAOYSA-N 0 1 536.635 4.552 40 0 KJABMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)c(Cl)c2)cc1 ZINC000060028646 554494287 /nfs/dbraw/zinc/49/42/87/554494287.db2.gz HHVQBYWTJDNKGM-UHFFFAOYSA-N 0 1 557.053 4.897 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000060028763 554495332 /nfs/dbraw/zinc/49/53/32/554495332.db2.gz ARKNYNUKJGOTRQ-UHFFFAOYSA-N 0 1 599.694 4.925 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000060028823 554495975 /nfs/dbraw/zinc/49/59/75/554495975.db2.gz YBVLWJNTNWRDLN-UHFFFAOYSA-N 0 1 585.107 4.987 40 0 KJABMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)cc2Cl)cc1 ZINC000060028826 554495909 /nfs/dbraw/zinc/49/59/09/554495909.db2.gz PDSNTVCDZFXRPS-UHFFFAOYSA-N 0 1 572.068 4.601 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000060028843 554496331 /nfs/dbraw/zinc/49/63/31/554496331.db2.gz GSFGURNVKBIGGE-UHFFFAOYSA-N 0 1 543.026 4.589 40 0 KJABMN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000060028884 554496600 /nfs/dbraw/zinc/49/66/00/554496600.db2.gz OBRYFBGVCQTULT-UHFFFAOYSA-N 0 1 571.080 4.678 40 0 KJABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000060028889 554496712 /nfs/dbraw/zinc/49/67/12/554496712.db2.gz OTRGBXWKACSPMK-UHFFFAOYSA-N 0 1 601.106 4.687 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000060028897 554496605 /nfs/dbraw/zinc/49/66/05/554496605.db2.gz CCHAMQDOWDJGBZ-UHFFFAOYSA-N 0 1 619.647 4.747 40 0 KJABMN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)ccc2C)c1 ZINC000060042950 554497256 /nfs/dbraw/zinc/49/72/56/554497256.db2.gz UIDSKWNWNIUKRU-UHFFFAOYSA-N 0 1 550.662 4.861 40 0 KJABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000060042988 554497229 /nfs/dbraw/zinc/49/72/29/554497229.db2.gz KUTJXYDSIANAJI-UHFFFAOYSA-N 0 1 571.080 4.678 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000060059982 554498183 /nfs/dbraw/zinc/49/81/83/554498183.db2.gz IEVRGFYMYRIYCT-UHFFFAOYSA-N 0 1 543.026 4.589 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2cccc(Cl)c2)cc1 ZINC000060060096 554498487 /nfs/dbraw/zinc/49/84/87/554498487.db2.gz BROKBAFJXNNOBU-UHFFFAOYSA-N 0 1 600.122 4.690 40 0 KJABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)ccc2C)c(C)c1 ZINC000060060231 554498730 /nfs/dbraw/zinc/49/87/30/554498730.db2.gz LHGHUCFINMLHGN-UHFFFAOYSA-N 0 1 550.662 4.861 40 0 KJABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)n1 ZINC000060060321 554498966 /nfs/dbraw/zinc/49/89/66/554498966.db2.gz CIIMHMHGYVHFIW-UHFFFAOYSA-N 0 1 533.448 4.663 40 0 KJABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)ccc2C)c(C)c1 ZINC000060060370 554498878 /nfs/dbraw/zinc/49/88/78/554498878.db2.gz FNEPNMGIBFCZKJ-UHFFFAOYSA-N 0 1 550.662 4.861 40 0 KJABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000060060410 554499220 /nfs/dbraw/zinc/49/92/20/554499220.db2.gz JDZBGKYJKWNJTN-UHFFFAOYSA-N 0 1 585.107 4.987 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(Cl)cc2)cc1 ZINC000060060424 554499152 /nfs/dbraw/zinc/49/91/52/554499152.db2.gz ITWVUOCQNRQYQM-UHFFFAOYSA-N 0 1 571.080 4.678 40 0 KJABMN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000060060475 554499457 /nfs/dbraw/zinc/49/94/57/554499457.db2.gz POBFOGQJPNGBFK-UHFFFAOYSA-N 0 1 590.605 4.735 40 0 KJABMN Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)cc2)S(C)(=O)=O)cc1C ZINC000060060481 554499506 /nfs/dbraw/zinc/49/95/06/554499506.db2.gz DSJCGFMITYCNPK-UHFFFAOYSA-N 0 1 564.689 4.718 40 0 KJABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000060060646 554500198 /nfs/dbraw/zinc/50/01/98/554500198.db2.gz WUZJEIRENUBVCO-UHFFFAOYSA-N 0 1 606.513 4.727 40 0 KJABMN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccccc1 ZINC000060060647 554500063 /nfs/dbraw/zinc/50/00/63/554500063.db2.gz UHPLTDMIDPEQBU-UHFFFAOYSA-N 0 1 571.080 4.678 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000060060667 554500082 /nfs/dbraw/zinc/50/00/82/554500082.db2.gz BGNBDBWYPXQGBP-UHFFFAOYSA-N 0 1 600.122 4.690 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2cccc(Br)c2)cc1 ZINC000060060715 554500456 /nfs/dbraw/zinc/50/04/56/554500456.db2.gz NGTCHOLXWXGODU-UHFFFAOYSA-N 0 1 615.531 4.787 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)cc2)n1 ZINC000060060902 554501442 /nfs/dbraw/zinc/50/14/42/554501442.db2.gz GCACTFVOMNUCGM-UHFFFAOYSA-N 0 1 593.731 4.730 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000060061092 554501864 /nfs/dbraw/zinc/50/18/64/554501864.db2.gz DWKDYWXRBOHQKE-UHFFFAOYSA-N 0 1 614.149 4.998 40 0 KJABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000060061103 554501998 /nfs/dbraw/zinc/50/19/98/554501998.db2.gz ZNDJTRAOVBEZJJ-UHFFFAOYSA-N 0 1 619.647 4.747 40 0 KJABMN CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCCN2[C@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954445 554505881 /nfs/dbraw/zinc/50/58/81/554505881.db2.gz QEBRGKUXJSEWSI-MWKYWARRSA-N 0 1 521.617 4.717 40 0 KJABMN CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCCN2[C@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954447 554505728 /nfs/dbraw/zinc/50/57/28/554505728.db2.gz QEBRGKUXJSEWSI-ZUBGVVFXSA-N 0 1 521.617 4.717 40 0 KJABMN CCOc1ccccc1C(=O)[C@H]1[C@H]2CCCN2[C@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954450 554505826 /nfs/dbraw/zinc/50/58/26/554505826.db2.gz QEBRGKUXJSEWSI-MXOGAJIBSA-N 0 1 521.617 4.717 40 0 KJABMN CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCCN2[C@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954556 554505784 /nfs/dbraw/zinc/50/57/84/554505784.db2.gz SFJVDJKWVJXRMO-MWKYWARRSA-N 0 1 521.617 4.717 40 0 KJABMN CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCCN2[C@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954559 554505942 /nfs/dbraw/zinc/50/59/42/554505942.db2.gz SFJVDJKWVJXRMO-ZUBGVVFXSA-N 0 1 521.617 4.717 40 0 KJABMN CCOc1ccccc1C(=O)[C@H]1[C@H]2CCCN2[C@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954562 554505997 /nfs/dbraw/zinc/50/59/97/554505997.db2.gz SFJVDJKWVJXRMO-MXOGAJIBSA-N 0 1 521.617 4.717 40 0 KJABMN COc1ccc(-c2cc([C@H]3C[N@H+]4CC[C@H]3C[C@@H]4CN(Cc3ccccn3)Cc3ccccn3)n(C)n2)cc1OC ZINC000067870607 1067163337 /nfs/dbraw/zinc/16/33/37/1067163337.db2.gz SGZZLGWYEHUBAD-LBNPDIFZSA-N 0 1 538.696 4.775 40 0 biogenic,in-vitro KJABMN COc1cc(NC(=O)OC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccc(N(C)C)cc3)nc(C)n2)cc(OC)c1 ZINC000067870937 560050693 /nfs/dbraw/zinc/05/06/93/560050693.db2.gz AWTXHQGPTPPOIL-WBWMCNGVSA-N 0 1 531.657 4.962 40 0 biogenic,in-vitro KJABMN COc1cc(NC(=O)OC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccc(N(C)C)cc3)nc(C)n2)cc(OC)c1 ZINC000067870937 560050692 /nfs/dbraw/zinc/05/06/92/560050692.db2.gz AWTXHQGPTPPOIL-WBWMCNGVSA-N 0 1 531.657 4.962 40 0 biogenic,in-vitro KJABMN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H](N3CCOCC3)C[C@@H](c3ccc(C(F)(F)F)cc3)N21 ZINC000067879265 554534400 /nfs/dbraw/zinc/53/44/00/554534400.db2.gz POZAFLGXKAOMTI-IODBPXAYSA-N 0 1 513.560 4.863 40 0 biogenic,in-vitro KJABMN CCOC(=O)c1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000067889502 554534469 /nfs/dbraw/zinc/53/44/69/554534469.db2.gz UVHIWXBWBQIWHJ-FQEVSTJZSA-N 0 1 542.474 4.867 40 0 biogenic,in-vitro KJABMN Cc1ccc(C2=C(O)[C@H]3C(=C(O)c4ccc(Br)cc4)N4N=Cc5ccccc5[C@H]4C3=C2O)cc1 ZINC000071785209 553637095 /nfs/dbraw/zinc/63/70/95/553637095.db2.gz METUVYKPOPQCDB-KJWQXZETSA-N 0 1 513.391 4.881 40 0 KJABMN Cc1ccc(C2=C(O)[C@H]3C(=C(O)c4ccc(Br)cc4)N4N=Cc5ccccc5[C@H]4C3=C2O)cc1 ZINC000071785210 553637115 /nfs/dbraw/zinc/63/71/15/553637115.db2.gz METUVYKPOPQCDB-LFCBLZOASA-N 0 1 513.391 4.881 40 0 KJABMN Cc1ccc(C2=C(O)[C@H]3C(=C(O)c4ccc(Br)cc4)N4N=Cc5ccccc5[C@H]4C3=C2O)cc1 ZINC000071785211 553637080 /nfs/dbraw/zinc/63/70/80/553637080.db2.gz METUVYKPOPQCDB-QVXKZJQXSA-N 0 1 513.391 4.881 40 0 KJABMN COc1cc(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@H](NC(=O)OC(C)(C)c2ccc(-c3ccccc3)cc2)C(=O)[O-])c(C)c1C ZINC000071788273 553638270 /nfs/dbraw/zinc/63/82/70/553638270.db2.gz GEZQNQFCUUSBHJ-SANMLTNESA-N 0 1 624.760 4.985 40 0 KJABMN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)c3ccc(OCC)c(-c4nc(=O)c5c([nH]4)c(CCC)nn5C)c3)ccc1OCC)[nH]c2=O ZINC000077286741 553658427 /nfs/dbraw/zinc/65/84/27/553658427.db2.gz ZBSAXUCQFZBWNK-UHFFFAOYSA-N 0 1 686.795 4.908 40 0 in-vitro KJABMN CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc([C@@H](C)O)c4n3)cc2)cc1Cl ZINC000088365304 553693372 /nfs/dbraw/zinc/69/33/72/553693372.db2.gz WHMXDBPHBVLYRC-BWKNWUBXSA-N 0 1 592.140 4.514 40 0 KJABMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc2O3)cc1 ZINC000096111953 553724254 /nfs/dbraw/zinc/72/42/54/553724254.db2.gz FLGTYMNTOWYIMD-GMAHTHKFSA-N 0 1 512.484 4.852 40 0 biogenic,in-vitro KJABMN O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc2O3)cc1 ZINC000096111953 553724252 /nfs/dbraw/zinc/72/42/52/553724252.db2.gz FLGTYMNTOWYIMD-GMAHTHKFSA-N 0 1 512.484 4.852 40 0 biogenic,in-vitro KJABMN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1Br ZINC000096835832 1067211054 /nfs/dbraw/zinc/21/10/54/1067211054.db2.gz PINMLCRWBOOMLB-UDWIEESQSA-N 0 1 508.372 4.694 40 0 KJABMN COc1cc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1O ZINC000097954576 553824122 /nfs/dbraw/zinc/82/41/22/553824122.db2.gz CTCQFSBMMNVBBQ-FKBYEOEOSA-N 0 1 529.774 4.868 40 0 KJABMN CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000097954812 553825728 /nfs/dbraw/zinc/82/57/28/553825728.db2.gz HWJJTOQXICMKRM-QKDODKLFSA-N 0 1 502.567 4.934 40 0 KJABMN CCCOc1ccc([C@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000097954812 553825725 /nfs/dbraw/zinc/82/57/25/553825725.db2.gz HWJJTOQXICMKRM-QKDODKLFSA-N 0 1 502.567 4.934 40 0 KJABMN CCOc1cc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000097954865 553825857 /nfs/dbraw/zinc/82/58/57/553825857.db2.gz KRMNBXYOSFJGGX-FIXSFTCYSA-N 0 1 523.383 4.913 40 0 KJABMN CCOc1cc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000097955278 553830521 /nfs/dbraw/zinc/83/05/21/553830521.db2.gz KNNPXRVDEKMFOZ-FUDKSRODSA-N 0 1 527.346 4.744 40 0 KJABMN O=C1[C@H]2[C@@H](Cc3ccccc3)N[C@@]3(c4ccccc4N(Cc4ccc(F)cc4)C3=O)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000098006387 554062118 /nfs/dbraw/zinc/06/21/18/554062118.db2.gz QNNLWPJUJVOMJH-ISCTWHGQSA-N 0 1 545.614 4.584 40 0 KJABMN O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@]1(N[C@H]2Cc2ccccc2)c2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000098006388 554062059 /nfs/dbraw/zinc/06/20/59/554062059.db2.gz QNNLWPJUJVOMJH-WXJAXAPPSA-N 0 1 545.614 4.584 40 0 KJABMN O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1CCCN1[C@@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000098009068 554069181 /nfs/dbraw/zinc/06/91/81/554069181.db2.gz XPHWSLMTNITVDN-ANARSLNQSA-N 0 1 531.534 4.731 40 0 KJABMN O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1CCCN1[C@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000098009069 554069125 /nfs/dbraw/zinc/06/91/25/554069125.db2.gz XPHWSLMTNITVDN-GBXYDCMPSA-N 0 1 531.534 4.731 40 0 KJABMN O=C1C[C@@H](NCc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(N2C(=O)C[C@@H](NCc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000098045891 554134436 /nfs/dbraw/zinc/13/44/36/554134436.db2.gz PKHUESKAJFUHFK-DNQXCXABSA-N 0 1 618.534 4.568 40 0 KJABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc(Br)c(Br)s1 ZINC000098046996 1067210965 /nfs/dbraw/zinc/21/09/65/1067210965.db2.gz QRSDZPIWXAVRNJ-UHFFFAOYSA-N 0 1 517.224 4.721 40 0 KJABMN Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(NS(=O)(=O)c4ccccc4Cl)c3)nn12 ZINC000098209626 554177160 /nfs/dbraw/zinc/17/71/60/554177160.db2.gz WLUMGCPGWDQOSB-UHFFFAOYSA-N 0 1 535.029 4.544 40 0 in-vitro KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000100091273 554211492 /nfs/dbraw/zinc/21/14/92/554211492.db2.gz SECIQTZOLRFBCD-LJAQVGFWSA-N 0 1 607.710 4.541 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000100091276 554211360 /nfs/dbraw/zinc/21/13/60/554211360.db2.gz SECIQTZOLRFBCD-GDLZYMKVSA-N 0 1 607.710 4.541 40 0 KJABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4cccs4)cc3)cc2)c(OC)c1 ZINC000100092748 554213191 /nfs/dbraw/zinc/21/31/91/554213191.db2.gz LNWZHRYWLKLPOU-UHFFFAOYSA-N 0 1 587.701 4.644 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)c1 ZINC000100092897 554213590 /nfs/dbraw/zinc/21/35/90/554213590.db2.gz QHQFBZCAPGYCKU-UHFFFAOYSA-N 0 1 531.439 4.753 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4cccs4)cc3)cc2)c1 ZINC000100096432 554217402 /nfs/dbraw/zinc/21/74/02/554217402.db2.gz DUVXWRBUMJOQGS-UHFFFAOYSA-N 0 1 587.701 4.644 40 0 KJABMN CSCC[C@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000100150930 554231589 /nfs/dbraw/zinc/23/15/89/554231589.db2.gz DZHLJYMOQCOYLT-OAWVOVMNSA-N 0 1 532.065 4.613 40 0 KJABMN C[C@H]1N[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000100164771 554236194 /nfs/dbraw/zinc/23/61/94/554236194.db2.gz SIZOWOMSYOWCDN-SPBCFDDISA-N 0 1 505.549 4.519 40 0 KJABMN O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@@H](Cc1ccccc1)N[C@@]21c2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000100164852 554236257 /nfs/dbraw/zinc/23/62/57/554236257.db2.gz QNNLWPJUJVOMJH-BOKUVRCSSA-N 0 1 545.614 4.584 40 0 KJABMN C[C@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000100182341 554242021 /nfs/dbraw/zinc/24/20/21/554242021.db2.gz BSLNTCMTDKFTLK-JDVQPHTBSA-N 0 1 506.389 4.533 40 0 KJABMN CC[C@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000100182348 554242091 /nfs/dbraw/zinc/24/20/91/554242091.db2.gz SBGUJUZVKRHORC-OAWVOVMNSA-N 0 1 550.442 4.932 40 0 KJABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)n1 ZINC000100187969 554243334 /nfs/dbraw/zinc/24/33/34/554243334.db2.gz FAQFSSOXFVENBA-UHFFFAOYSA-N 0 1 547.475 4.972 40 0 KJABMN O=C1[C@@H]2[C@H]3CCCN3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100220075 554251474 /nfs/dbraw/zinc/25/14/74/554251474.db2.gz XPHWSLMTNITVDN-IKOOFXLXSA-N 0 1 531.534 4.731 40 0 KJABMN O=C1[C@@H]2[C@H]3CCCN3[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100220079 554251501 /nfs/dbraw/zinc/25/15/01/554251501.db2.gz XPHWSLMTNITVDN-DOUCHOMGSA-N 0 1 531.534 4.731 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000100264243 554266608 /nfs/dbraw/zinc/26/66/08/554266608.db2.gz KZLRKSVNZPYGRB-KFVRLDSISA-N 0 1 568.276 4.573 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000100264248 554266629 /nfs/dbraw/zinc/26/66/29/554266629.db2.gz KZLRKSVNZPYGRB-OJEAVSNDSA-N 0 1 568.276 4.573 40 0 KJABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1cccc(I)c1 ZINC000100309746 554298981 /nfs/dbraw/zinc/29/89/81/554298981.db2.gz FSASXEWDDWOZTN-UHFFFAOYSA-N 0 1 556.017 4.649 40 0 KJABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccccc1I ZINC000100310157 554299979 /nfs/dbraw/zinc/29/99/79/554299979.db2.gz MBMYCJMZQKDWJM-UHFFFAOYSA-N 0 1 556.017 4.649 40 0 KJABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccc(I)cc1 ZINC000100310334 554300192 /nfs/dbraw/zinc/30/01/92/554300192.db2.gz FKLZMHSONPZNDY-UHFFFAOYSA-N 0 1 556.017 4.649 40 0 KJABMN O=C(COc1ccc(Br)cc1)NC(=S)Nc1cc(Br)c(O)c(Br)c1 ZINC000100310353 554300310 /nfs/dbraw/zinc/30/03/10/554300310.db2.gz QGPPTYNCIYWEHI-UHFFFAOYSA-N 0 1 539.043 4.572 40 0 KJABMN COc1ccc(C(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)cc1Br ZINC000100311004 554300558 /nfs/dbraw/zinc/30/05/58/554300558.db2.gz VIXGKUNTOOFFNF-UHFFFAOYSA-N 0 1 539.043 4.815 40 0 KJABMN COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(Br)c(O)c(Br)c1 ZINC000100311683 554300975 /nfs/dbraw/zinc/30/09/75/554300975.db2.gz SCESDJGTXUTHQO-UHFFFAOYSA-N 0 1 539.043 4.815 40 0 KJABMN CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000100370876 554356484 /nfs/dbraw/zinc/35/64/84/554356484.db2.gz PICOCUIAFGKIMH-SANMLTNESA-N 0 1 546.672 4.875 40 0 KJABMN CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000100370879 554356374 /nfs/dbraw/zinc/35/63/74/554356374.db2.gz PICOCUIAFGKIMH-AREMUKBSSA-N 0 1 546.672 4.875 40 0 KJABMN COc1cc(N(C(=O)Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c(OC)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000100474718 554400350 /nfs/dbraw/zinc/40/03/50/554400350.db2.gz MMJMTHUEZUNATQ-UHFFFAOYSA-N 0 1 602.637 4.747 40 0 KJABMN O=C(Cc1ccc(Cl)cc1)[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Cc2ccc(Cl)cc2)C1=O ZINC000100491725 554403033 /nfs/dbraw/zinc/40/30/33/554403033.db2.gz HLFQBIFDXCWRSO-VWLOTQADSA-N 0 1 509.433 4.835 40 0 KJABMN O=C(Cc1ccc(Cl)cc1)[C@H]1CN(Cc2ccccc2)CCN(C(=O)Cc2ccc(Cl)cc2)C1=O ZINC000100491726 554403010 /nfs/dbraw/zinc/40/30/10/554403010.db2.gz HLFQBIFDXCWRSO-RUZDIDTESA-N 0 1 509.433 4.835 40 0 KJABMN O=c1c2c(nc3cc([C@@H]4CCC[N@@H+](Cc5ccc(F)c(F)c5)C4)[n-]n31)CCN(Cc1ccc(F)c(F)c1)C2 ZINC000100493059 554403518 /nfs/dbraw/zinc/40/35/18/554403518.db2.gz PXDBXMRSFQXFHT-LJQANCHMSA-N 0 1 525.550 4.929 40 0 KJABMN O=c1c2c(nc3cc([C@H]4CCC[N@@H+](Cc5ccc(F)c(F)c5)C4)[n-]n31)CCN(Cc1ccc(F)c(F)c1)C2 ZINC000100493062 554403460 /nfs/dbraw/zinc/40/34/60/554403460.db2.gz PXDBXMRSFQXFHT-IBGZPJMESA-N 0 1 525.550 4.929 40 0 KJABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000100884638 554508390 /nfs/dbraw/zinc/50/83/90/554508390.db2.gz DPSCPAUNQJIQFK-VJBWXMMDSA-N 0 1 509.356 4.517 40 0 KJABMN S=C(NCCCN1CCN(CCCNC(=S)Nc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000100981503 554547714 /nfs/dbraw/zinc/54/77/14/554547714.db2.gz HZDWAPCJNJJTPU-UHFFFAOYSA-N 0 1 539.602 4.664 40 0 KJABMN O=C(NCCCN1CCN(CCCNC(=O)c2cc(Cl)cc(Cl)c2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000100981538 554547764 /nfs/dbraw/zinc/54/77/64/554547764.db2.gz UJDTWLZUSINYHK-UHFFFAOYSA-N 0 1 546.326 4.858 40 0 KJABMN COc1ccc(-n2c(SCCC(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)nnc2-c2ccc(C)cc2)cc1 ZINC000101036780 554566022 /nfs/dbraw/zinc/56/60/22/554566022.db2.gz BFOTZQZCSOYUMG-UHFFFAOYSA-N 0 1 601.714 4.963 40 0 KJABMN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc4)c3n2)cc1 ZINC000101045700 1067211545 /nfs/dbraw/zinc/21/15/45/1067211545.db2.gz CCKYVEJOLNFVQU-UHFFFAOYSA-N 0 1 579.589 4.802 40 0 KJABMN Cc1ccc(C)c(N2CCN(CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4Cc3ccc(Cl)cc3)CC2)c1 ZINC000101051742 554568691 /nfs/dbraw/zinc/56/86/91/554568691.db2.gz OTTTUPVSSLKOPJ-UHFFFAOYSA-N 0 1 612.178 4.624 40 0 KJABMN COc1ccc(OC)c([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000101054576 554569250 /nfs/dbraw/zinc/56/92/50/554569250.db2.gz YSHCDVHRSBXTKW-VJBWXMMDSA-N 0 1 509.356 4.517 40 0 KJABMN COc1cc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101097109 554584844 /nfs/dbraw/zinc/58/48/44/554584844.db2.gz GLCNHWBHNNLGNE-PKTNWEFCSA-N 0 1 520.541 4.966 40 0 KJABMN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101112754 554642068 /nfs/dbraw/zinc/64/20/68/554642068.db2.gz XITPCMNFQGWLBM-PVHODMMVSA-N 0 1 502.567 4.934 40 0 KJABMN COc1cc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1O ZINC000101142541 554654310 /nfs/dbraw/zinc/65/43/10/554654310.db2.gz CTCQFSBMMNVBBQ-FSSWDIPSSA-N 0 1 529.774 4.868 40 0 KJABMN CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101177510 554665266 /nfs/dbraw/zinc/66/52/66/554665266.db2.gz IFYYYSKSSMBLCP-QKDODKLFSA-N 0 1 502.567 4.934 40 0 KJABMN CCCOc1ccc([C@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000101177510 554665264 /nfs/dbraw/zinc/66/52/64/554665264.db2.gz IFYYYSKSSMBLCP-QKDODKLFSA-N 0 1 502.567 4.934 40 0 KJABMN CCOc1cc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000101181603 554667315 /nfs/dbraw/zinc/66/73/15/554667315.db2.gz KRMNBXYOSFJGGX-GPXNEJASSA-N 0 1 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574.795 4.786 40 0 KJABMN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CCCN2CCOCC2)c1C ZINC000225546638 571910498 /nfs/dbraw/zinc/91/04/98/571910498.db2.gz LLWMIBSQYSGCOD-IOWSJCHKSA-N 0 1 574.795 4.786 40 0 KJABMN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(CCCN2CCOCC2)c1C ZINC000225546670 571910490 /nfs/dbraw/zinc/91/04/90/571910490.db2.gz LLWMIBSQYSGCOD-FIRIVFDPSA-N 0 1 574.795 4.786 40 0 KJABMN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1CCCN1CCOCC1 ZINC000225568585 571930099 /nfs/dbraw/zinc/93/00/99/571930099.db2.gz LOTJMUNPMCCYKL-LOYHVIPDSA-N 0 1 560.768 4.532 40 0 KJABMN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1CCCN1CCOCC1 ZINC000225568611 571930161 /nfs/dbraw/zinc/93/01/61/571930161.db2.gz LOTJMUNPMCCYKL-IHLOFXLRSA-N 0 1 560.768 4.532 40 0 KJABMN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1CCCN1CCOCC1 ZINC000225568633 571930221 /nfs/dbraw/zinc/93/02/21/571930221.db2.gz LOTJMUNPMCCYKL-XZWHSSHBSA-N 0 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560.768 4.532 40 0 KJABMN O=C(Nc1nnc(S(=O)(=O)NCCSCc2ccccc2Cl)s1)c1ccc(Cl)cc1Cl ZINC000225647748 571996376 /nfs/dbraw/zinc/99/63/76/571996376.db2.gz ILDJZVNZHPSGLV-UHFFFAOYSA-N 0 1 537.903 4.962 40 0 KJABMN O=C(Nc1nnc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)s1)c1ccc(Cl)cc1 ZINC000225651381 571999726 /nfs/dbraw/zinc/99/97/26/571999726.db2.gz DGLAVFFOFJRLIL-UHFFFAOYSA-N 0 1 537.903 4.962 40 0 KJABMN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1CCCN1CCOCC1 ZINC000225683884 572020743 /nfs/dbraw/zinc/02/07/43/572020743.db2.gz XTOOLGTTXYPZNV-LOYHVIPDSA-N 0 1 560.768 4.532 40 0 KJABMN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1CCCN1CCOCC1 ZINC000225683912 572020765 /nfs/dbraw/zinc/02/07/65/572020765.db2.gz XTOOLGTTXYPZNV-IHLOFXLRSA-N 0 1 560.768 4.532 40 0 KJABMN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1CCCN1CCOCC1 ZINC000225683940 572020753 /nfs/dbraw/zinc/02/07/53/572020753.db2.gz XTOOLGTTXYPZNV-XZWHSSHBSA-N 0 1 560.768 4.532 40 0 KJABMN 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IEDWRULPIPBVCL-UHFFFAOYSA-N 0 1 613.689 4.862 40 0 KJABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)cc2)c1 ZINC000408712289 1066555280 /nfs/dbraw/zinc/55/52/80/1066555280.db2.gz HTJZHMOORWFHRV-UHFFFAOYSA-N 0 1 581.672 4.866 40 0 KJABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cc2)c(OC)c1 ZINC000408712325 1066554042 /nfs/dbraw/zinc/55/40/42/1066554042.db2.gz MNDIQXWESFJLCM-UHFFFAOYSA-N 0 1 567.645 4.558 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000408712343 1066553916 /nfs/dbraw/zinc/55/39/16/1066553916.db2.gz PDOGFPVVIOHHMA-UHFFFAOYSA-N 0 1 551.646 4.858 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000408712379 1066554096 /nfs/dbraw/zinc/55/40/96/1066554096.db2.gz SOOQZMVLPRLXAI-GOSISDBHSA-N 0 1 566.101 4.559 40 0 KJABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000408712380 1066554598 /nfs/dbraw/zinc/55/45/98/1066554598.db2.gz SOOQZMVLPRLXAI-SFHVURJKSA-N 0 1 566.101 4.559 40 0 KJABMN COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1Cl ZINC000408712548 1066553454 /nfs/dbraw/zinc/55/34/54/1066553454.db2.gz KLJPXYKUNRUMSR-UHFFFAOYSA-N 0 1 596.127 4.651 40 0 KJABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3C)cc2)c(OC)c1 ZINC000408712586 1066554183 /nfs/dbraw/zinc/55/41/83/1066554183.db2.gz XRLPEHMONJRJFA-UHFFFAOYSA-N 0 1 581.672 4.866 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408724603 1066560882 /nfs/dbraw/zinc/56/08/82/1066560882.db2.gz ADGVRJIZFLCMFQ-FAUWUSJQSA-N 0 1 569.466 4.973 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408724604 1066560838 /nfs/dbraw/zinc/56/08/38/1066560838.db2.gz ADGVRJIZFLCMFQ-YXFINDDBSA-N 0 1 569.466 4.973 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408727150 1066559432 /nfs/dbraw/zinc/55/94/32/1066559432.db2.gz QEJVWXGRWYAIGY-DMVFFGLYSA-N 0 1 659.727 4.524 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408727151 1066198603 /nfs/dbraw/zinc/19/86/03/1066198603.db2.gz QEJVWXGRWYAIGY-RPXHZFJKSA-N 0 1 659.727 4.524 40 0 KJABMN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3O)sc2=N[C@@H]1c1ccc(Br)cc1 ZINC000408731134 1066567392 /nfs/dbraw/zinc/56/73/92/1066567392.db2.gz JDDKDQMESVTJEA-IISPMBILSA-N 0 1 568.276 4.682 40 0 KJABMN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3O)sc2=N[C@H]1c1ccc(Br)cc1 ZINC000408731140 1066567444 /nfs/dbraw/zinc/56/74/44/1066567444.db2.gz JDDKDQMESVTJEA-VZZQTLFRSA-N 0 1 568.276 4.682 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734764 1066564657 /nfs/dbraw/zinc/56/46/57/1066564657.db2.gz JJRLHGPDFLOTNC-JUTHHCEFSA-N 0 1 760.388 4.511 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734766 1066564795 /nfs/dbraw/zinc/56/47/95/1066564795.db2.gz JJRLHGPDFLOTNC-VVOOWDFBSA-N 0 1 760.388 4.511 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734806 1066564710 /nfs/dbraw/zinc/56/47/10/1066564710.db2.gz KBOBVQGPYZMFIL-JUTHHCEFSA-N 0 1 621.937 4.717 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734807 1066564781 /nfs/dbraw/zinc/56/47/81/1066564781.db2.gz KBOBVQGPYZMFIL-VVOOWDFBSA-N 0 1 621.937 4.717 40 0 KJABMN Cc1sc2nc(-c3cc(I)cc(I)c3O)[nH]c(=O)c2c1C ZINC000408734975 1066564275 /nfs/dbraw/zinc/56/42/75/1066564275.db2.gz METIQXPXULMXKZ-UHFFFAOYSA-N 0 1 524.121 4.596 40 0 KJABMN O=c1[nH]c(-c2cc(I)cc(I)c2O)nc2sc3c(c21)CCCC3 ZINC000408735250 1066564235 /nfs/dbraw/zinc/56/42/35/1066564235.db2.gz OZDGXZNSBFQLEQ-UHFFFAOYSA-N 0 1 550.159 4.858 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408736243 1066563392 /nfs/dbraw/zinc/56/33/92/1066563392.db2.gz NQCVJQNDISGMRI-AFHVAHMMSA-N 0 1 714.363 4.837 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408736244 1066563703 /nfs/dbraw/zinc/56/37/03/1066563703.db2.gz NQCVJQNDISGMRI-ZRELAVNMSA-N 0 1 714.363 4.837 40 0 KJABMN Cc1ccccc1NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C ZINC000408736731 1066563353 /nfs/dbraw/zinc/56/33/53/1066563353.db2.gz GNTUTACSFHPOOX-KRWDZBQOSA-N 0 1 622.241 4.984 40 0 KJABMN Cc1ccccc1NC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C ZINC000408736732 1066563318 /nfs/dbraw/zinc/56/33/18/1066563318.db2.gz GNTUTACSFHPOOX-QGZVFWFLSA-N 0 1 622.241 4.984 40 0 KJABMN Cc1csc(NC(=O)[C@H](Cc2cc(I)c(O)c(I)c2)NC(=O)OCc2ccccc2)n1 ZINC000408736747 1066563201 /nfs/dbraw/zinc/56/32/01/1066563201.db2.gz GVWMKZXYSKOOST-KRWDZBQOSA-N 0 1 663.275 4.843 40 0 KJABMN Cc1csc(NC(=O)[C@@H](Cc2cc(I)c(O)c(I)c2)NC(=O)OCc2ccccc2)n1 ZINC000408736748 1066563282 /nfs/dbraw/zinc/56/32/82/1066563282.db2.gz GVWMKZXYSKOOST-QGZVFWFLSA-N 0 1 663.275 4.843 40 0 KJABMN O=C(N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)NC1CCCCC1)OCc1ccccc1 ZINC000408736916 1066563243 /nfs/dbraw/zinc/56/32/43/1066563243.db2.gz JRDZBBACJXXTDO-FQEVSTJZSA-N 0 1 648.279 4.888 40 0 KJABMN O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)NC1CCCCC1)OCc1ccccc1 ZINC000408736917 1066563157 /nfs/dbraw/zinc/56/31/57/1066563157.db2.gz JRDZBBACJXXTDO-HXUWFJFHSA-N 0 1 648.279 4.888 40 0 KJABMN CC(C)COC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)Nc1ccccc1 ZINC000408737851 1066573186 /nfs/dbraw/zinc/57/31/86/1066573186.db2.gz PESFSOZZHRLDEL-KRWDZBQOSA-N 0 1 608.214 4.533 40 0 KJABMN CC(C)COC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)Nc1ccccc1 ZINC000408737854 1066573118 /nfs/dbraw/zinc/57/31/18/1066573118.db2.gz PESFSOZZHRLDEL-QGZVFWFLSA-N 0 1 608.214 4.533 40 0 KJABMN Cc1ccc(NC(=O)[C@H](Cc2cc(I)c(O)c(I)c2)NC(=O)OC(C)(C)C)cc1 ZINC000408738687 1066572796 /nfs/dbraw/zinc/57/27/96/1066572796.db2.gz UXGZIZVZXYHMLC-KRWDZBQOSA-N 0 1 622.241 4.984 40 0 KJABMN Cc1ccc(NC(=O)[C@@H](Cc2cc(I)c(O)c(I)c2)NC(=O)OC(C)(C)C)cc1 ZINC000408738688 1066572746 /nfs/dbraw/zinc/57/27/46/1066572746.db2.gz UXGZIZVZXYHMLC-QGZVFWFLSA-N 0 1 622.241 4.984 40 0 KJABMN Cc1cccc(NC(=O)[C@H](Cc2cc(I)c(O)c(I)c2)NC(=O)OCc2ccccc2)n1 ZINC000408739332 1066571805 /nfs/dbraw/zinc/57/18/05/1066571805.db2.gz ZMCIRFDRTZRODJ-IBGZPJMESA-N 0 1 657.246 4.781 40 0 KJABMN Cc1cccc(NC(=O)[C@@H](Cc2cc(I)c(O)c(I)c2)NC(=O)OCc2ccccc2)n1 ZINC000408739333 1066571871 /nfs/dbraw/zinc/57/18/71/1066571871.db2.gz ZMCIRFDRTZRODJ-LJQANCHMSA-N 0 1 657.246 4.781 40 0 KJABMN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408755643 1066577704 /nfs/dbraw/zinc/57/77/04/1066577704.db2.gz ROEJYMWOTZBXSN-ARLGEPFESA-N 0 1 611.503 4.965 40 0 KJABMN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408755644 1066577758 /nfs/dbraw/zinc/57/77/58/1066577758.db2.gz ROEJYMWOTZBXSN-SCRHHBKZSA-N 0 1 611.503 4.965 40 0 KJABMN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408761345 1066589642 /nfs/dbraw/zinc/58/96/42/1066589642.db2.gz IRVSWBQEVXENOX-ARLGEPFESA-N 0 1 794.405 4.868 40 0 KJABMN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408761346 1066589602 /nfs/dbraw/zinc/58/96/02/1066589602.db2.gz IRVSWBQEVXENOX-SCRHHBKZSA-N 0 1 794.405 4.868 40 0 KJABMN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408768113 1066596722 /nfs/dbraw/zinc/59/67/22/1066596722.db2.gz BXBAKJNEIBBNNO-OBVMJLIASA-N 0 1 752.343 4.990 40 0 KJABMN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408768116 1066596955 /nfs/dbraw/zinc/59/69/55/1066596955.db2.gz BXBAKJNEIBBNNO-WNOSOOIWSA-N 0 1 752.343 4.990 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3O)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769819 1066594685 /nfs/dbraw/zinc/59/46/85/1066594685.db2.gz PHMODLVGQDGUJL-JRCVWDDOSA-N 0 1 717.230 4.809 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769820 1066594334 /nfs/dbraw/zinc/59/43/34/1066594334.db2.gz PHMODLVGQDGUJL-KKGUTSHJSA-N 0 1 717.230 4.809 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769851 1066227872 /nfs/dbraw/zinc/22/78/72/1066227872.db2.gz PUORWIDEMFIMSU-JRCVWDDOSA-N 0 1 672.779 4.700 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769852 1066594391 /nfs/dbraw/zinc/59/43/91/1066594391.db2.gz PUORWIDEMFIMSU-KKGUTSHJSA-N 0 1 672.779 4.700 40 0 KJABMN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)cc(Cl)c4O)c(=O)n32)c1 ZINC000408769993 1066227898 /nfs/dbraw/zinc/22/78/98/1066227898.db2.gz ROOMZRYPZXSPBP-MFUBYVTQSA-N 0 1 566.466 4.895 40 0 KJABMN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)cc(Cl)c4O)c(=O)n32)c1 ZINC000408769994 1066590560 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ZINC000408775857 1066591504 /nfs/dbraw/zinc/59/15/04/1066591504.db2.gz VPCMHBRAISIHKQ-JYWRCUDFSA-N 0 1 624.376 4.751 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408775858 1066591701 /nfs/dbraw/zinc/59/17/01/1066591701.db2.gz VPCMHBRAISIHKQ-JZVSFUAJSA-N 0 1 624.376 4.751 40 0 KJABMN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(O)c(I)c3)S2)cc1 ZINC000408785398 1066232220 /nfs/dbraw/zinc/23/22/20/1066232220.db2.gz YTWKHVMTJBXTNM-IDGGIGOKSA-N 0 1 531.213 4.921 40 0 KJABMN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(O)c(I)c3)S2)cc1 ZINC000408785401 1066601670 /nfs/dbraw/zinc/60/16/70/1066601670.db2.gz YTWKHVMTJBXTNM-YHTSIIMFSA-N 0 1 531.213 4.921 40 0 KJABMN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(O)c(I)c3)S2)cc1 ZINC000408785614 1066601557 /nfs/dbraw/zinc/60/15/57/1066601557.db2.gz ICTIZMXMNFBEAF-IDGGIGOKSA-N 0 1 578.213 4.763 40 0 KJABMN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c(O)c(I)c3)S2)cc1 ZINC000408785616 1066601652 /nfs/dbraw/zinc/60/16/52/1066601652.db2.gz 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Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@H](c1ccc(C(C)C)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409024916 1066777383 /nfs/dbraw/zinc/77/73/83/1066777383.db2.gz YVRFSQJTDICBRU-SBAFFJACSA-N 0 1 589.721 4.988 40 0 KJABMN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Cl)cc(Br)c4O)c(=O)n32)cc1 ZINC000409030094 1066795164 /nfs/dbraw/zinc/79/51/64/1066795164.db2.gz CHFPDVVSARKNCO-JGZDWKDESA-N 0 1 591.911 4.707 40 0 KJABMN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Cl)cc(Br)c4O)c(=O)n32)cc1 ZINC000409030095 1066795089 /nfs/dbraw/zinc/79/50/89/1066795089.db2.gz CHFPDVVSARKNCO-WYWXSHKMSA-N 0 1 591.911 4.707 40 0 KJABMN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(I)c(O)c(I)c4)c(=O)n32)cc1 ZINC000409032403 1066307732 /nfs/dbraw/zinc/30/77/32/1066307732.db2.gz JGRVSGBDQMARLC-FNUHDPNESA-N 0 1 730.362 4.500 40 0 KJABMN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(I)c(O)c(I)c4)c(=O)n32)cc1 ZINC000409032407 1066792156 /nfs/dbraw/zinc/79/21/56/1066792156.db2.gz JGRVSGBDQMARLC-PZDOZLBDSA-N 0 1 730.362 4.500 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034489 1066789258 /nfs/dbraw/zinc/78/92/58/1066789258.db2.gz HQZKABJLTKUAIE-GSOQPGDSSA-N 0 1 621.937 4.716 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034492 1066789394 /nfs/dbraw/zinc/78/93/94/1066789394.db2.gz HQZKABJLTKUAIE-YOURIZNBSA-N 0 1 621.937 4.716 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034767 1066788784 /nfs/dbraw/zinc/78/87/84/1066788784.db2.gz QZPMYPVLORRDKB-KIHONOKQSA-N 0 1 621.937 4.716 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034768 1066788878 /nfs/dbraw/zinc/78/88/78/1066788878.db2.gz QZPMYPVLORRDKB-YLVTVWEBSA-N 0 1 621.937 4.716 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409036743 1066785468 /nfs/dbraw/zinc/78/54/68/1066785468.db2.gz LZRHXDULISDHGX-GSOQPGDSSA-N 0 1 577.486 4.607 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409036744 1066785389 /nfs/dbraw/zinc/78/53/89/1066785389.db2.gz LZRHXDULISDHGX-YOURIZNBSA-N 0 1 577.486 4.607 40 0 KJABMN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Cl)cc(Cl)c4O)c(=O)n32)cc1 ZINC000409037278 1066310967 /nfs/dbraw/zinc/31/09/67/1066310967.db2.gz TUGAUTFHUNZHPR-JGZDWKDESA-N 0 1 547.460 4.598 40 0 KJABMN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Cl)cc(Cl)c4O)c(=O)n32)cc1 ZINC000409037279 1066785033 /nfs/dbraw/zinc/78/50/33/1066785033.db2.gz TUGAUTFHUNZHPR-WYWXSHKMSA-N 0 1 547.460 4.598 40 0 KJABMN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)cc(Br)c4O)c(=O)n32)cc1 ZINC000409038457 1066812222 /nfs/dbraw/zinc/81/22/22/1066812222.db2.gz VMMPTAHLVLEWKZ-JGZDWKDESA-N 0 1 636.362 4.816 40 0 KJABMN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)cc(Br)c4O)c(=O)n32)cc1 ZINC000409038459 1066812161 /nfs/dbraw/zinc/81/21/61/1066812161.db2.gz VMMPTAHLVLEWKZ-WYWXSHKMSA-N 0 1 636.362 4.816 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041623 1066806623 /nfs/dbraw/zinc/80/66/23/1066806623.db2.gz AUTSXOSADYRZDE-GSOQPGDSSA-N 0 1 666.388 4.825 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041625 1066807156 /nfs/dbraw/zinc/80/71/56/1066807156.db2.gz AUTSXOSADYRZDE-YOURIZNBSA-N 0 1 666.388 4.825 40 0 KJABMN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(O)c(I)c4)c(=O)n32)cc1 ZINC000409041646 1066311303 /nfs/dbraw/zinc/31/13/03/1066311303.db2.gz AXUDAIXVSNRJOP-FNUHDPNESA-N 0 1 683.362 4.658 40 0 KJABMN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(O)c(I)c4)c(=O)n32)cc1 ZINC000409041648 1066807220 /nfs/dbraw/zinc/80/72/20/1066807220.db2.gz AXUDAIXVSNRJOP-PZDOZLBDSA-N 0 1 683.362 4.658 40 0 KJABMN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)cc(Br)c3O)N(C)C2=S)cc1 ZINC000409041777 1066806642 /nfs/dbraw/zinc/80/66/42/1066806642.db2.gz JSHCJLBWUZVJAU-SXGWCWSVSA-N 0 1 512.223 4.920 40 0 KJABMN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)cc(Cl)c4O)c(=O)n32)cc1 ZINC000409043056 1066804476 /nfs/dbraw/zinc/80/44/76/1066804476.db2.gz ZEHWPBUXKBYBEE-JGZDWKDESA-N 0 1 591.911 4.707 40 0 KJABMN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)cc(Cl)c4O)c(=O)n32)cc1 ZINC000409043058 1066804661 /nfs/dbraw/zinc/80/46/61/1066804661.db2.gz ZEHWPBUXKBYBEE-WYWXSHKMSA-N 0 1 591.911 4.707 40 0 KJABMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409043368 1066804100 /nfs/dbraw/zinc/80/41/00/1066804100.db2.gz QKSXGHHEXRBUCB-YBFXNURJSA-N 0 1 514.319 4.602 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409043812 1066311796 /nfs/dbraw/zinc/31/17/96/1066311796.db2.gz ZTWOQWRXOBMVNN-GSOQPGDSSA-N 0 1 760.388 4.509 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409043815 1066803447 /nfs/dbraw/zinc/80/34/47/1066803447.db2.gz ZTWOQWRXOBMVNN-YOURIZNBSA-N 0 1 760.388 4.509 40 0 KJABMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409045882 1066312633 /nfs/dbraw/zinc/31/26/33/1066312633.db2.gz JHYSGDTXIDSUTP-VIZOYTHASA-N 0 1 533.149 4.756 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409045957 1066801018 /nfs/dbraw/zinc/80/10/18/1066801018.db2.gz QIFTWNWBAWVRFD-GSOQPGDSSA-N 0 1 713.388 4.667 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409045958 1066800956 /nfs/dbraw/zinc/80/09/56/1066800956.db2.gz QIFTWNWBAWVRFD-YOURIZNBSA-N 0 1 713.388 4.667 40 0 KJABMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409054805 1066315935 /nfs/dbraw/zinc/31/59/35/1066315935.db2.gz GQFBHYPQLMKMJC-YBFXNURJSA-N 0 1 514.319 4.602 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409079134 1066847089 /nfs/dbraw/zinc/84/70/89/1066847089.db2.gz KBSWFNJFZKNNFJ-NCBZSOBPSA-N 0 1 642.355 4.981 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409079136 1066847122 /nfs/dbraw/zinc/84/71/22/1066847122.db2.gz KBSWFNJFZKNNFJ-WXXWBPKISA-N 0 1 642.355 4.981 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409080008 1066846617 /nfs/dbraw/zinc/84/66/17/1066846617.db2.gz CVARUTIETMPBEF-KHVWPYCOSA-N 0 1 734.204 4.642 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409080011 1066846655 /nfs/dbraw/zinc/84/66/55/1066846655.db2.gz CVARUTIETMPBEF-KYSILRCISA-N 0 1 734.204 4.642 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409080014 1066846325 /nfs/dbraw/zinc/84/63/25/1066846325.db2.gz CVKGRWNGKIUSGP-KHVWPYCOSA-N 0 1 642.753 4.691 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409080015 1066846487 /nfs/dbraw/zinc/84/64/87/1066846487.db2.gz CVKGRWNGKIUSGP-KYSILRCISA-N 0 1 642.753 4.691 40 0 KJABMN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)c(O)c(I)c4)c(=O)n32)cc1 ZINC000409081221 1066319394 /nfs/dbraw/zinc/31/93/94/1066319394.db2.gz PEGQNNRAZGVJLH-MGSPXPDISA-N 0 1 702.368 4.955 40 0 KJABMN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)c(O)c(I)c4)c(=O)n32)cc1 ZINC000409081225 1066855413 /nfs/dbraw/zinc/85/54/13/1066855413.db2.gz PEGQNNRAZGVJLH-XPCGLTFESA-N 0 1 702.368 4.955 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409081956 1066854839 /nfs/dbraw/zinc/85/48/39/1066854839.db2.gz QSEVIJWBQAXRJX-KHVWPYCOSA-N 0 1 598.302 4.582 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409081967 1066319985 /nfs/dbraw/zinc/31/99/85/1066319985.db2.gz QSEVIJWBQAXRJX-KYSILRCISA-N 0 1 598.302 4.582 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409082330 1066854236 /nfs/dbraw/zinc/85/42/36/1066854236.db2.gz SGNPUTPBNUMZPM-KHVWPYCOSA-N 0 1 642.753 4.691 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409082335 1066854852 /nfs/dbraw/zinc/85/48/52/1066854852.db2.gz SGNPUTPBNUMZPM-KYSILRCISA-N 0 1 642.753 4.691 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409083103 1066853591 /nfs/dbraw/zinc/85/35/91/1066853591.db2.gz UWACDHUKSIIEMW-KHVWPYCOSA-N 0 1 687.204 4.800 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409083107 1066320060 /nfs/dbraw/zinc/32/00/60/1066320060.db2.gz UWACDHUKSIIEMW-KYSILRCISA-N 0 1 687.204 4.800 40 0 KJABMN O=C1Nc2ccccc2S/C1=C\c1cc(I)c(O)c(I)c1 ZINC000409086406 1066850689 /nfs/dbraw/zinc/85/06/89/1066850689.db2.gz DPZUQXAUWYIWDX-QPEQYQDCSA-N 0 1 521.117 4.687 40 0 KJABMN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(I)c(O)c(I)c4)c(=O)n32)cc1 ZINC000409086615 1066849993 /nfs/dbraw/zinc/84/99/93/1066849993.db2.gz FPRRVFYXTLWZRR-MGSPXPDISA-N 0 1 749.368 4.797 40 0 KJABMN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(I)c(O)c(I)c4)c(=O)n32)cc1 ZINC000409086616 1066850050 /nfs/dbraw/zinc/85/00/50/1066850050.db2.gz FPRRVFYXTLWZRR-XPCGLTFESA-N 0 1 749.368 4.797 40 0 KJABMN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Cl)cc(Cl)c4O)c(=O)n32)cc1 ZINC000409087202 1066849390 /nfs/dbraw/zinc/84/93/90/1066849390.db2.gz HCYMVPGYADGFRU-JGTYQCAFSA-N 0 1 566.466 4.895 40 0 KJABMN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Cl)cc(Cl)c4O)c(=O)n32)cc1 ZINC000409087205 1066849442 /nfs/dbraw/zinc/84/94/42/1066849442.db2.gz HCYMVPGYADGFRU-LYRGBEMXSA-N 0 1 566.466 4.895 40 0 KJABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409088797 1066868755 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