smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCN(c2ncccn2)CC1 ZINC000004101340 562941845 /nfs/dbraw/zinc/94/18/45/562941845.db2.gz BSINQHKCVSCNJR-UHFFFAOYSA-N -1 3 446.352 0.928 20 0 ICADHM Nc1ncnc2sc3c(c21)CCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C3 ZINC000010262786 1072881090 /nfs/dbraw/zinc/88/10/90/1072881090.db2.gz PMCUOJMPXXKKBX-UHFFFAOYSA-N -1 3 437.279 0.471 20 0 ICADHM C[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000010384447 1072885143 /nfs/dbraw/zinc/88/51/43/1072885143.db2.gz DDJYQAQVIUFDGA-VIFPVBQESA-N -1 3 430.280 0.580 20 0 ICADHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000011153937 1072924486 /nfs/dbraw/zinc/92/44/86/1072924486.db2.gz PZRBCCSOAIRHTP-UHFFFAOYSA-N -1 3 442.520 0.396 20 0 ICADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NNC(=O)c1ccc(Br)cc1 ZINC000021001901 1072332322 /nfs/dbraw/zinc/33/23/22/1072332322.db2.gz MNSMSADFEZJMBC-UHFFFAOYSA-N -1 3 446.055 0.523 20 0 ICADHM Cc1cc(CN2CCN(C(=O)CCc3c(C)nc(N4CCOCC4)[n-]c3=O)CC2)on1 ZINC000029235121 1072742575 /nfs/dbraw/zinc/74/25/75/1072742575.db2.gz NAIHXRYHUMNMHB-UHFFFAOYSA-N -1 3 430.509 0.488 20 0 ICADHM Cn1cc(/C=C/C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC001123268450 939817476 /nfs/dbraw/zinc/81/74/76/939817476.db2.gz QMNJIZLCJMBLAE-CZQLGGELSA-N -1 3 426.473 0.333 20 0 ICADHM Cn1cc(/C=C/C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC001123268452 939817953 /nfs/dbraw/zinc/81/79/53/939817953.db2.gz QMNJIZLCJMBLAE-DGSRBQDKSA-N -1 3 426.473 0.333 20 0 ICADHM Cn1cc(/C=C\C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC001123268454 939817494 /nfs/dbraw/zinc/81/74/94/939817494.db2.gz QMNJIZLCJMBLAE-DYYZXQNHSA-N -1 3 426.473 0.333 20 0 ICADHM Cn1cc(/C=C\C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC001123268456 939817850 /nfs/dbraw/zinc/81/78/50/939817850.db2.gz QMNJIZLCJMBLAE-MZMPXXGTSA-N -1 3 426.473 0.333 20 0 ICADHM COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ncnc2[n-]cc(S(C)(=O)=O)c21 ZINC001164703883 719848550 /nfs/dbraw/zinc/84/85/50/719848550.db2.gz QYEIHLFEDCQRES-BFUOFWGJSA-N -1 3 437.522 0.594 20 0 ICADHM COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc2[n-]cc(S(C)(=O)=O)c21 ZINC001164703884 719848511 /nfs/dbraw/zinc/84/85/11/719848511.db2.gz QYEIHLFEDCQRES-DJJJIMSYSA-N -1 3 437.522 0.594 20 0 ICADHM COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc2[n-]cc(S(C)(=O)=O)c21 ZINC001164703885 719848754 /nfs/dbraw/zinc/84/87/54/719848754.db2.gz QYEIHLFEDCQRES-ORAYPTAESA-N -1 3 437.522 0.594 20 0 ICADHM COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ncnc2[n-]cc(S(C)(=O)=O)c21 ZINC001164703886 719848614 /nfs/dbraw/zinc/84/86/14/719848614.db2.gz QYEIHLFEDCQRES-YJYMSZOUSA-N -1 3 437.522 0.594 20 0 ICADHM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164879554 721166714 /nfs/dbraw/zinc/16/67/14/721166714.db2.gz TZIVDFCDPDZLED-MSOLQXFVSA-N -1 3 431.518 0.781 20 0 ICADHM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164879562 721166994 /nfs/dbraw/zinc/16/69/94/721166994.db2.gz TZIVDFCDPDZLED-QZTJIDSGSA-N -1 3 431.518 0.781 20 0 ICADHM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164879564 721167940 /nfs/dbraw/zinc/16/79/40/721167940.db2.gz TZIVDFCDPDZLED-ROUUACIJSA-N -1 3 431.518 0.781 20 0 ICADHM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164879566 721166930 /nfs/dbraw/zinc/16/69/30/721166930.db2.gz TZIVDFCDPDZLED-ZWKOTPCHSA-N -1 3 431.518 0.781 20 0 ICADHM O=C(Nc1ccc(I)cc1[O-])c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001466818639 1068983489 /nfs/dbraw/zinc/98/34/89/1068983489.db2.gz JTFKZHCVZZQTPL-MRVPVSSYSA-N -1 3 429.174 0.949 20 0 ICADHM O=C(Nc1ccc(I)cc1[O-])c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001466818641 1068983659 /nfs/dbraw/zinc/98/36/59/1068983659.db2.gz JTFKZHCVZZQTPL-QMMMGPOBSA-N -1 3 429.174 0.949 20 0 ICADHM COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC001466865954 1068986752 /nfs/dbraw/zinc/98/67/52/1068986752.db2.gz CVGNGGYPYKUGHM-HNNXBMFYSA-N -1 3 448.501 0.309 20 0 ICADHM COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC001466865955 1068986802 /nfs/dbraw/zinc/98/68/02/1068986802.db2.gz CVGNGGYPYKUGHM-OAHLLOKOSA-N -1 3 448.501 0.309 20 0 ICADHM Cc1cc(C)nc(-n2[n-]c(C(=O)NC(C)(C)CCN3CCN(C)CC3)c(CCO)c2=O)n1 ZINC001466977831 1068990510 /nfs/dbraw/zinc/99/05/10/1068990510.db2.gz AATRSYPUMBIFQE-UHFFFAOYSA-N -1 3 445.568 0.253 20 0 ICADHM O=C(c1sccc1S(=O)(=O)N1CCC(CO)CC1)N1CCc2nc[n-]c(=O)c2C1 ZINC001467245260 1068996695 /nfs/dbraw/zinc/99/66/95/1068996695.db2.gz OQHDUDYFUDXAOJ-UHFFFAOYSA-N -1 3 438.531 0.835 20 0 ICADHM CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC001467350124 1069001926 /nfs/dbraw/zinc/00/19/26/1069001926.db2.gz OJXHRMOORBNXHS-SECBINFHSA-N -1 3 441.432 0.864 20 0 ICADHM CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC001467350128 1069002172 /nfs/dbraw/zinc/00/21/72/1069002172.db2.gz OJXHRMOORBNXHS-VIFPVBQESA-N -1 3 441.432 0.864 20 0 ICADHM Cc1cn2nnc(C(=O)NCC[N-]S(=O)(=O)c3ccc(Cl)cc3F)c2c(=O)[nH]1 ZINC001467382424 1069003263 /nfs/dbraw/zinc/00/32/63/1069003263.db2.gz HERVYAJTKJVLOS-UHFFFAOYSA-N -1 3 428.833 0.639 20 0 ICADHM CC(C)(C)OC(=O)NCCOCC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001467382751 1069003028 /nfs/dbraw/zinc/00/30/28/1069003028.db2.gz KIRIKHBEPYVRGQ-UHFFFAOYSA-N -1 3 437.465 0.901 20 0 ICADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cccn1CCN1CCOCC1 ZINC001467383253 1069003090 /nfs/dbraw/zinc/00/30/90/1069003090.db2.gz OCDJRBWDQYRLAG-UHFFFAOYSA-N -1 3 442.488 0.807 20 0 ICADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H](CO)CN1CCOCC1 ZINC001467388763 1069004185 /nfs/dbraw/zinc/00/41/85/1069004185.db2.gz PGKKIWQJXYZZNA-GFCCVEGCSA-N -1 3 440.349 0.471 20 0 ICADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H](CO)CN1CCOCC1 ZINC001467388765 1069004457 /nfs/dbraw/zinc/00/44/57/1069004457.db2.gz PGKKIWQJXYZZNA-LBPRGKRZSA-N -1 3 440.349 0.471 20 0 ICADHM Cc1ccc(OCC(=O)N2CCN(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)CC2)cc1 ZINC001467508372 1069012446 /nfs/dbraw/zinc/01/24/46/1069012446.db2.gz IZCQETJWKZBPCE-UHFFFAOYSA-N -1 3 427.465 0.760 20 0 ICADHM COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC001467509565 1069012779 /nfs/dbraw/zinc/01/27/79/1069012779.db2.gz YLKNFKAWJXXLHU-UHFFFAOYSA-N -1 3 446.504 0.408 20 0 ICADHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCN(c2ncc[nH]2)CC1 ZINC001467633092 1069018790 /nfs/dbraw/zinc/01/87/90/1069018790.db2.gz YWDCSQGXOZZMRY-UHFFFAOYSA-N -1 3 434.341 0.861 20 0 ICADHM O=C([N-]CC1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1)C(F)(F)F ZINC001467640697 1069019831 /nfs/dbraw/zinc/01/98/31/1069019831.db2.gz UWLJWZDYZCIXGN-UHFFFAOYSA-N -1 3 440.430 0.653 20 0 ICADHM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCN(C4CCOCC4)C[C@@H]3C)c(CCO)c2=O)n1 ZINC001467650595 1069022606 /nfs/dbraw/zinc/02/26/06/1069022606.db2.gz OAERCKJFPTVYJK-INIZCTEOSA-N -1 3 444.536 0.433 20 0 ICADHM COc1ccccc1CCNC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001467652594 1069022317 /nfs/dbraw/zinc/02/23/17/1069022317.db2.gz KDDISTVBEOSGQH-UHFFFAOYSA-N -1 3 440.431 0.971 20 0 ICADHM COc1ccccc1CCNC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001467652594 1069022298 /nfs/dbraw/zinc/02/22/98/1069022298.db2.gz KDDISTVBEOSGQH-UHFFFAOYSA-N -1 3 440.431 0.971 20 0 ICADHM NC(=O)N1CC[C@H](CNC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC001467855110 1069039626 /nfs/dbraw/zinc/03/96/26/1069039626.db2.gz VCDARPAINOEDFA-MRVPVSSYSA-N -1 3 425.330 0.306 20 0 ICADHM NC(=O)N1CC[C@@H](CNC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC001467855116 1069039425 /nfs/dbraw/zinc/03/94/25/1069039425.db2.gz VCDARPAINOEDFA-QMMMGPOBSA-N -1 3 425.330 0.306 20 0 ICADHM Cc1cc(C)nc(-n2[n-]c(C(=O)NC3C[C@H]4CC[C@@H](C3)N4CC(=O)N(C)C)cc2=O)n1 ZINC001467862753 1069040308 /nfs/dbraw/zinc/04/03/08/1069040308.db2.gz ZIMAYVIGZKYFMI-MQVJKMGUSA-N -1 3 427.509 0.386 20 0 ICADHM CN1CC[C@H](N2CCC(NC(=O)C[N-]S(=O)(=O)c3c(F)cccc3F)CC2)C1=O ZINC001467863522 1069040885 /nfs/dbraw/zinc/04/08/85/1069040885.db2.gz LIEXBAJSDYRXJW-HNNXBMFYSA-N -1 3 430.477 0.054 20 0 ICADHM CN1CC[C@@H](N2CCC(NC(=O)C[N-]S(=O)(=O)c3c(F)cccc3F)CC2)C1=O ZINC001467863524 1069041329 /nfs/dbraw/zinc/04/13/29/1069041329.db2.gz LIEXBAJSDYRXJW-OAHLLOKOSA-N -1 3 430.477 0.054 20 0 ICADHM O=C(NC[C@H]1CCCN(Cc2ncon2)C1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001467946540 1069054302 /nfs/dbraw/zinc/05/43/02/1069054302.db2.gz NBKVAXKDGKRXEB-CYBMUJFWSA-N -1 3 428.424 0.899 20 0 ICADHM O=C(NC[C@H]1CCCN(Cc2ncon2)C1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001467946540 1069054301 /nfs/dbraw/zinc/05/43/01/1069054301.db2.gz NBKVAXKDGKRXEB-CYBMUJFWSA-N -1 3 428.424 0.899 20 0 ICADHM O=C(NC[C@@H]1CCCN(Cc2ncon2)C1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001467946541 1069054351 /nfs/dbraw/zinc/05/43/51/1069054351.db2.gz NBKVAXKDGKRXEB-ZDUSSCGKSA-N -1 3 428.424 0.899 20 0 ICADHM O=C(NC[C@@H]1CCCN(Cc2ncon2)C1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001467946541 1069054346 /nfs/dbraw/zinc/05/43/46/1069054346.db2.gz NBKVAXKDGKRXEB-ZDUSSCGKSA-N -1 3 428.424 0.899 20 0 ICADHM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC001467952202 1069055414 /nfs/dbraw/zinc/05/54/14/1069055414.db2.gz HIESVNHUFYPTAQ-GOSISDBHSA-N -1 3 443.474 0.841 20 0 ICADHM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC001467952206 1069055383 /nfs/dbraw/zinc/05/53/83/1069055383.db2.gz HIESVNHUFYPTAQ-SFHVURJKSA-N -1 3 443.474 0.841 20 0 ICADHM Cn1cc(C[C@@H](CO)CNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cn1 ZINC001467964676 1069057182 /nfs/dbraw/zinc/05/71/82/1069057182.db2.gz SEIPTLMPRIMTIY-GFCCVEGCSA-N -1 3 428.461 0.720 20 0 ICADHM Cn1cc(C[C@H](CO)CNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cn1 ZINC001467964677 1069057157 /nfs/dbraw/zinc/05/71/57/1069057157.db2.gz SEIPTLMPRIMTIY-LBPRGKRZSA-N -1 3 428.461 0.720 20 0 ICADHM O=C(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])NCCN1CCCCC1 ZINC001468042376 1069068776 /nfs/dbraw/zinc/06/87/76/1069068776.db2.gz RYWUHMYILRIMQK-UHFFFAOYSA-N -1 3 438.550 0.509 20 0 ICADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC001468046384 1069069808 /nfs/dbraw/zinc/06/98/08/1069069808.db2.gz DUDLJAYBRHJOMA-NXEZZACHSA-N -1 3 439.943 0.776 20 0 ICADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC001468047709 1069069671 /nfs/dbraw/zinc/06/96/71/1069069671.db2.gz VEBJOYAAJXNVRS-HUUCEWRRSA-N -1 3 443.497 0.976 20 0 ICADHM CC[C@H](CNS(C)(=O)=O)NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC001468173839 1069084759 /nfs/dbraw/zinc/08/47/59/1069084759.db2.gz RVCSIWZFJSIEBV-GHMZBOCLSA-N -1 3 426.948 0.236 20 0 ICADHM CC[C@@H](CNS(C)(=O)=O)NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC001468173840 1069084673 /nfs/dbraw/zinc/08/46/73/1069084673.db2.gz RVCSIWZFJSIEBV-MNOVXSKESA-N -1 3 426.948 0.236 20 0 ICADHM CC[C@@H](CNS(C)(=O)=O)NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC001468173841 1069084492 /nfs/dbraw/zinc/08/44/92/1069084492.db2.gz 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COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)O1 ZINC001472008839 1069516488 /nfs/dbraw/zinc/51/64/88/1069516488.db2.gz IESLJQSLMATMDG-XYJFISCASA-N -1 3 433.436 0.909 20 0 ICADHM COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])O1 ZINC001472008839 1069516480 /nfs/dbraw/zinc/51/64/80/1069516480.db2.gz IESLJQSLMATMDG-XYJFISCASA-N -1 3 433.436 0.909 20 0 ICADHM COCCOCC(=O)NC1CCC(C(=O)NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)CC1 ZINC001472023284 1069517907 /nfs/dbraw/zinc/51/79/07/1069517907.db2.gz BJZGRIXZEQMZSE-UHFFFAOYSA-N -1 3 449.552 0.914 20 0 ICADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)ccc1F ZINC001472062665 1069523303 /nfs/dbraw/zinc/52/33/03/1069523303.db2.gz PYRUHZQQYOVTLY-IBGZPJMESA-N -1 3 429.514 0.422 20 0 ICADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCN3CCOC[C@]3(CO)C2)ccc1F ZINC001472062666 1069523357 /nfs/dbraw/zinc/52/33/57/1069523357.db2.gz PYRUHZQQYOVTLY-LJQANCHMSA-N -1 3 429.514 0.422 20 0 ICADHM 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COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC001558247628 1073152829 /nfs/dbraw/zinc/15/28/29/1073152829.db2.gz CKYAXVWXZRKBSV-RFAUZJTJSA-N -1 3 442.266 0.967 20 0 ICADHM COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC001558247630 1073152748 /nfs/dbraw/zinc/15/27/48/1073152748.db2.gz CKYAXVWXZRKBSV-VFZGTOFNSA-N -1 3 442.266 0.967 20 0 ICADHM C[C@H](CC(=O)NCc1ccc(S(C)(=O)=O)nc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001558325146 1073160904 /nfs/dbraw/zinc/16/09/04/1073160904.db2.gz IQNALHCKYPUUBX-LLVKDONJSA-N -1 3 446.938 0.907 20 0 ICADHM C[C@@H](CC(=O)NCc1ccc(S(C)(=O)=O)nc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001558325147 1073160845 /nfs/dbraw/zinc/16/08/45/1073160845.db2.gz IQNALHCKYPUUBX-NSHDSACASA-N -1 3 446.938 0.907 20 0 ICADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCCn1ccc(=O)[nH]c1=O ZINC001558336430 1073161763 /nfs/dbraw/zinc/16/17/63/1073161763.db2.gz DBOSRTAVCNHWCQ-UHFFFAOYSA-N -1 3 435.289 0.741 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)C2)n1 ZINC001558349197 1073164825 /nfs/dbraw/zinc/16/48/25/1073164825.db2.gz NRKJXYYXPQGPHB-CYBMUJFWSA-N -1 3 437.478 0.113 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)C2)n1 ZINC001558349200 1073164876 /nfs/dbraw/zinc/16/48/76/1073164876.db2.gz NRKJXYYXPQGPHB-ZDUSSCGKSA-N -1 3 437.478 0.113 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)[C@@](C)(O)Cn3cc(C(F)(F)F)ccc3=O)C2)n1 ZINC001558349232 1073164836 /nfs/dbraw/zinc/16/48/36/1073164836.db2.gz HGRMOBNRGGQBKY-ACJLOTCBSA-N -1 3 441.410 0.817 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)[C@](C)(O)Cn3cc(C(F)(F)F)ccc3=O)C2)n1 ZINC001558349234 1073164969 /nfs/dbraw/zinc/16/49/69/1073164969.db2.gz HGRMOBNRGGQBKY-FZKQIMNGSA-N -1 3 441.410 0.817 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)[C@](C)(O)Cn3cc(C(F)(F)F)ccc3=O)C2)n1 ZINC001558349236 1073164931 /nfs/dbraw/zinc/16/49/31/1073164931.db2.gz HGRMOBNRGGQBKY-SCLBCKFNSA-N -1 3 441.410 0.817 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)[C@@](C)(O)Cn3cc(C(F)(F)F)ccc3=O)C2)n1 ZINC001558349238 1073164857 /nfs/dbraw/zinc/16/48/57/1073164857.db2.gz HGRMOBNRGGQBKY-UGSOOPFHSA-N -1 3 441.410 0.817 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)C2)n1 ZINC001558349463 1073165462 /nfs/dbraw/zinc/16/54/62/1073165462.db2.gz QROXSMVKUJQUNE-BBRMVZONSA-N -1 3 427.440 0.445 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)C2)n1 ZINC001558349468 1073165288 /nfs/dbraw/zinc/16/52/88/1073165288.db2.gz QROXSMVKUJQUNE-CJNGLKHVSA-N -1 3 427.440 0.445 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)C2)n1 ZINC001558349470 1073165418 /nfs/dbraw/zinc/16/54/18/1073165418.db2.gz QROXSMVKUJQUNE-CZUORRHYSA-N -1 3 427.440 0.445 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)C2)n1 ZINC001558349471 1073165325 /nfs/dbraw/zinc/16/53/25/1073165325.db2.gz QROXSMVKUJQUNE-XJKSGUPXSA-N -1 3 427.440 0.445 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)C3=NOC4(CN(C(=O)OC(C)(C)C)C4)C3)C2)n1 ZINC001558349727 1073165238 /nfs/dbraw/zinc/16/52/38/1073165238.db2.gz KUGDFMZEWLDLII-CYBMUJFWSA-N -1 3 432.481 0.951 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)C3=NOC4(CN(C(=O)OC(C)(C)C)C4)C3)C2)n1 ZINC001558349729 1073165355 /nfs/dbraw/zinc/16/53/55/1073165355.db2.gz KUGDFMZEWLDLII-ZDUSSCGKSA-N -1 3 432.481 0.951 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)C2)n1 ZINC001558350108 1073165266 /nfs/dbraw/zinc/16/52/66/1073165266.db2.gz OYXDAMCUONHUFQ-SECBINFHSA-N -1 3 429.861 0.939 20 0 ICADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)C2)n1 ZINC001558350111 1073165307 /nfs/dbraw/zinc/16/53/07/1073165307.db2.gz OYXDAMCUONHUFQ-VIFPVBQESA-N -1 3 429.861 0.939 20 0 ICADHM CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@H]3CCCN(c4nc(C)cc(=O)[n-]4)C3)c2C1 ZINC001558350876 1073165296 /nfs/dbraw/zinc/16/52/96/1073165296.db2.gz XSPKBVIDHWDVPK-CVEARBPZSA-N -1 3 427.509 0.784 20 0 ICADHM CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@H]3CCCN(c4nc(C)cc(=O)[n-]4)C3)c2C1 ZINC001558350877 1073165402 /nfs/dbraw/zinc/16/54/02/1073165402.db2.gz XSPKBVIDHWDVPK-HOTGVXAUSA-N -1 3 427.509 0.784 20 0 ICADHM CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@@H]3CCCN(c4nc(C)cc(=O)[n-]4)C3)c2C1 ZINC001558350878 1073165247 /nfs/dbraw/zinc/16/52/47/1073165247.db2.gz XSPKBVIDHWDVPK-HZPDHXFCSA-N -1 3 427.509 0.784 20 0 ICADHM CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@@H]3CCCN(c4nc(C)cc(=O)[n-]4)C3)c2C1 ZINC001558350879 1073165816 /nfs/dbraw/zinc/16/58/16/1073165816.db2.gz XSPKBVIDHWDVPK-JKSUJKDBSA-N -1 3 427.509 0.784 20 0 ICADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)n1 ZINC001558362971 1073167108 /nfs/dbraw/zinc/16/71/08/1073167108.db2.gz NUEVJDLVLXGTTA-MSOLQXFVSA-N -1 3 446.552 0.289 20 0 ICADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)n1 ZINC001558362972 1073167059 /nfs/dbraw/zinc/16/70/59/1073167059.db2.gz NUEVJDLVLXGTTA-QZTJIDSGSA-N -1 3 446.552 0.289 20 0 ICADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)n1 ZINC001558362973 1073167228 /nfs/dbraw/zinc/16/72/28/1073167228.db2.gz NUEVJDLVLXGTTA-ROUUACIJSA-N -1 3 446.552 0.289 20 0 ICADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)n1 ZINC001558362974 1073167172 /nfs/dbraw/zinc/16/71/72/1073167172.db2.gz NUEVJDLVLXGTTA-ZWKOTPCHSA-N -1 3 446.552 0.289 20 0 ICADHM CCn1c(=O)c2ccccc2n(CC(=O)N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)c1=O ZINC001558365058 1073167673 /nfs/dbraw/zinc/16/76/73/1073167673.db2.gz UPNCZISVUBTTGD-HNNXBMFYSA-N -1 3 438.488 0.772 20 0 ICADHM CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)c1=O ZINC001558365091 1073167608 /nfs/dbraw/zinc/16/76/08/1073167608.db2.gz UPNCZISVUBTTGD-OAHLLOKOSA-N -1 3 438.488 0.772 20 0 ICADHM COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001558376663 1073168114 /nfs/dbraw/zinc/16/81/14/1073168114.db2.gz JGESLXCUTFBJCG-GFCCVEGCSA-N -1 3 428.214 0.751 20 0 ICADHM CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)cc1F ZINC001558395604 1073169657 /nfs/dbraw/zinc/16/96/57/1073169657.db2.gz AUWOEBQWGRTNIT-UHFFFAOYSA-N -1 3 436.465 0.955 20 0 ICADHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)n1 ZINC001558397516 1073170132 /nfs/dbraw/zinc/17/01/32/1073170132.db2.gz PCRFBVLQIGRWSU-UHFFFAOYSA-N -1 3 433.490 0.148 20 0 ICADHM CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)n(C)c1 ZINC001558398131 1073169961 /nfs/dbraw/zinc/16/99/61/1073169961.db2.gz XPDDAJQPEBCHSZ-UHFFFAOYSA-N -1 3 436.538 0.822 20 0 ICADHM CCN1C(=O)CO[C@H](C(=O)NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)[C@H]1c1nccn1C ZINC001558500979 1073178983 /nfs/dbraw/zinc/17/89/83/1073178983.db2.gz IHUPIQDLZOTGQT-ROUUACIJSA-N -1 3 443.508 0.298 20 0 ICADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)Cc3ccc(S(=O)(=O)CCO)cc3)CC2)n1 ZINC001558501386 1073178865 /nfs/dbraw/zinc/17/88/65/1073178865.db2.gz NOEQGULKDOVYCV-UHFFFAOYSA-N -1 3 434.518 0.584 20 0 ICADHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCO[C@@H]2COCC[C@@H]21 ZINC001558550202 1073186420 /nfs/dbraw/zinc/18/64/20/1073186420.db2.gz DNLCLPJUWNDGDJ-VHSXEESVSA-N -1 3 425.326 0.805 20 0 ICADHM C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001558574656 1073187818 /nfs/dbraw/zinc/18/78/18/1073187818.db2.gz XUVOSISMBDIFFH-SECBINFHSA-N -1 3 446.411 0.435 20 0 ICADHM C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001558574658 1073187732 /nfs/dbraw/zinc/18/77/32/1073187732.db2.gz XUVOSISMBDIFFH-VIFPVBQESA-N -1 3 446.411 0.435 20 0 ICADHM COC(=O)[C@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC001558578966 1073188806 /nfs/dbraw/zinc/18/88/06/1073188806.db2.gz BTFQGOBHHJUGDV-AWEZNQCLSA-N -1 3 425.392 0.195 20 0 ICADHM COC(=O)[C@@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC001558578967 1073188737 /nfs/dbraw/zinc/18/87/37/1073188737.db2.gz BTFQGOBHHJUGDV-CQSZACIVSA-N -1 3 425.392 0.195 20 0 ICADHM COC(=O)[C@@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C ZINC001558579586 1073189247 /nfs/dbraw/zinc/18/92/47/1073189247.db2.gz SAUXQIYXOHDYNE-CYBMUJFWSA-N -1 3 425.392 0.195 20 0 ICADHM COC(=O)[C@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C ZINC001558579587 1073189217 /nfs/dbraw/zinc/18/92/17/1073189217.db2.gz SAUXQIYXOHDYNE-ZDUSSCGKSA-N -1 3 425.392 0.195 20 0 ICADHM COc1cc2[n-]cc(C(=O)N[C@@H]3CCN(c4cc(=O)n(C)c(=O)[nH]4)C3)c(=O)c2c(OC)c1 ZINC001558582646 1073190189 /nfs/dbraw/zinc/19/01/89/1073190189.db2.gz AQFNOOQBPRKWKQ-LLVKDONJSA-N -1 3 441.444 0.353 20 0 ICADHM COc1cc2[n-]cc(C(=O)N[C@H]3CCN(c4cc(=O)n(C)c(=O)[nH]4)C3)c(=O)c2c(OC)c1 ZINC001558582647 1073190128 /nfs/dbraw/zinc/19/01/28/1073190128.db2.gz AQFNOOQBPRKWKQ-NSHDSACASA-N -1 3 441.444 0.353 20 0 ICADHM C[C@H](CC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001558608021 1073193616 /nfs/dbraw/zinc/19/36/16/1073193616.db2.gz PAXUFQXCIHLUTO-UTUOFQBUSA-N -1 3 438.959 0.175 20 0 ICADHM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001558608022 1073193524 /nfs/dbraw/zinc/19/35/24/1073193524.db2.gz PAXUFQXCIHLUTO-WOPDTQHZSA-N -1 3 438.959 0.175 20 0 ICADHM C[C@@H]1CN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C[C@H]1CS(N)(=O)=O ZINC001558608187 1073193598 /nfs/dbraw/zinc/19/35/98/1073193598.db2.gz XNNUKUVHKRYWEZ-ZJUUUORDSA-N -1 3 437.490 0.402 20 0 ICADHM O=C(NCc1cc(=O)c([O-])co1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC001558678274 1073203387 /nfs/dbraw/zinc/20/33/87/1073203387.db2.gz XNWKAEUCYIZYEK-UHFFFAOYSA-N -1 3 428.850 0.950 20 0 ICADHM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001558688214 1073204290 /nfs/dbraw/zinc/20/42/90/1073204290.db2.gz DAGRZALZLZENFL-CYBMUJFWSA-N -1 3 440.412 0.449 20 0 ICADHM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001558688215 1073204421 /nfs/dbraw/zinc/20/44/21/1073204421.db2.gz DAGRZALZLZENFL-ZDUSSCGKSA-N -1 3 440.412 0.449 20 0 ICADHM O=C(N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC001558697788 1073206113 /nfs/dbraw/zinc/20/61/13/1073206113.db2.gz HLRDHXAJZOBYOF-LLVKDONJSA-N -1 3 439.444 0.910 20 0 ICADHM O=C(N[C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC001558697789 1073206052 /nfs/dbraw/zinc/20/60/52/1073206052.db2.gz HLRDHXAJZOBYOF-NSHDSACASA-N -1 3 439.444 0.910 20 0 ICADHM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1Br ZINC001558697949 1073206030 /nfs/dbraw/zinc/20/60/30/1073206030.db2.gz LYRUUIJYXRAUFR-JTQLQIEISA-N -1 3 442.295 0.601 20 0 ICADHM NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1Br ZINC001558697950 1073206022 /nfs/dbraw/zinc/20/60/22/1073206022.db2.gz LYRUUIJYXRAUFR-SNVBAGLBSA-N -1 3 442.295 0.601 20 0 ICADHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC001558698012 1073206226 /nfs/dbraw/zinc/20/62/26/1073206226.db2.gz NLPYPPFQSJALBZ-KRWDZBQOSA-N -1 3 431.518 0.421 20 0 ICADHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC001558698013 1073206095 /nfs/dbraw/zinc/20/60/95/1073206095.db2.gz NLPYPPFQSJALBZ-QGZVFWFLSA-N -1 3 431.518 0.421 20 0 ICADHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC001558698201 1073206180 /nfs/dbraw/zinc/20/61/80/1073206180.db2.gz SDCHPNYHMOQWMW-GFCCVEGCSA-N -1 3 438.535 0.257 20 0 ICADHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC001558698202 1073206304 /nfs/dbraw/zinc/20/63/04/1073206304.db2.gz SDCHPNYHMOQWMW-LBPRGKRZSA-N -1 3 438.535 0.257 20 0 ICADHM COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC001558698289 1073206076 /nfs/dbraw/zinc/20/60/76/1073206076.db2.gz UWIKPOLTEBDUJX-ASSNKEHSSA-N -1 3 440.460 0.353 20 0 ICADHM COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC001558698290 1073206068 /nfs/dbraw/zinc/20/60/68/1073206068.db2.gz UWIKPOLTEBDUJX-LRTDBIEQSA-N -1 3 440.460 0.353 20 0 ICADHM COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC001558698291 1073206276 /nfs/dbraw/zinc/20/62/76/1073206276.db2.gz UWIKPOLTEBDUJX-YEJXKQKISA-N -1 3 440.460 0.353 20 0 ICADHM COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC001558698292 1073206202 /nfs/dbraw/zinc/20/62/02/1073206202.db2.gz UWIKPOLTEBDUJX-ZSEKCTLFSA-N -1 3 440.460 0.353 20 0 ICADHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001558698350 1073206163 /nfs/dbraw/zinc/20/61/63/1073206163.db2.gz WWEFPWXQYGEPKM-HNNXBMFYSA-N -1 3 432.506 0.373 20 0 ICADHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001558698351 1073206040 /nfs/dbraw/zinc/20/60/40/1073206040.db2.gz WWEFPWXQYGEPKM-OAHLLOKOSA-N -1 3 432.506 0.373 20 0 ICADHM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001558728444 1073208963 /nfs/dbraw/zinc/20/89/63/1073208963.db2.gz BFOKYNOOOGOMOL-SHTZXODSSA-N -1 3 449.533 0.998 20 0 ICADHM 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Cn1ncc(S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C)c1I ZINC001561559964 1073341727 /nfs/dbraw/zinc/34/17/27/1073341727.db2.gz RYBGQHIUWMIIHI-SCZZXKLOSA-N -1 3 431.296 0.461 20 0 ICADHM Cn1ncc(S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C)c1I ZINC001561559965 1073341637 /nfs/dbraw/zinc/34/16/37/1073341637.db2.gz RYBGQHIUWMIIHI-WCBMZHEXSA-N -1 3 431.296 0.461 20 0 ICADHM Cn1ncc(S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C)c1I ZINC001561559966 1073341569 /nfs/dbraw/zinc/34/15/69/1073341569.db2.gz RYBGQHIUWMIIHI-WPRPVWTQSA-N -1 3 431.296 0.461 20 0 ICADHM COC(=O)C1([N-]S(=O)(=O)c2cnn(C)c2I)CCOCC1 ZINC001561568275 1073339736 /nfs/dbraw/zinc/33/97/36/1073339736.db2.gz BNBVYKIXIBTWPM-UHFFFAOYSA-N -1 3 429.236 0.025 20 0 ICADHM COC(=O)C1([N-]S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CCOCC1 ZINC001561568704 1073343767 /nfs/dbraw/zinc/34/37/67/1073343767.db2.gz UFBFAMMDVIQUBH-UHFFFAOYSA-N -1 3 439.259 0.688 20 0 ICADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@]1(O)CCS(=O)(=O)C1 ZINC001561572854 1073344420 /nfs/dbraw/zinc/34/44/20/1073344420.db2.gz UVOUPMDYUWHYGU-GFCCVEGCSA-N -1 3 432.289 0.425 20 0 ICADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@]1(O)CCS(=O)(=O)C1 ZINC001561572855 1073344026 /nfs/dbraw/zinc/34/40/26/1073344026.db2.gz UVOUPMDYUWHYGU-LBPRGKRZSA-N -1 3 432.289 0.425 20 0 ICADHM COC(=O)Cn1cc(S(=O)(=O)[N-][C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cn1 ZINC001561573034 1073344431 /nfs/dbraw/zinc/34/44/31/1073344431.db2.gz YCFHVGMDNJROSY-GFCCVEGCSA-N -1 3 438.453 0.979 20 0 ICADHM COC(=O)Cn1cc(S(=O)(=O)[N-][C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cn1 ZINC001561573035 1073344339 /nfs/dbraw/zinc/34/43/39/1073344339.db2.gz YCFHVGMDNJROSY-LBPRGKRZSA-N -1 3 438.453 0.979 20 0 ICADHM COC[C@@]1(CO)CCN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC001561575451 1073345354 /nfs/dbraw/zinc/34/53/54/1073345354.db2.gz DOLKPKWWTJMXIX-AWEZNQCLSA-N -1 3 446.469 0.547 20 0 ICADHM COC[C@]1(CO)CCN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC001561575452 1073345322 /nfs/dbraw/zinc/34/53/22/1073345322.db2.gz DOLKPKWWTJMXIX-CQSZACIVSA-N -1 3 446.469 0.547 20 0 ICADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCS(=O)(=O)C1CCOCC1 ZINC001561582196 1073346142 /nfs/dbraw/zinc/34/61/42/1073346142.db2.gz OZCPCKJLGNMRNK-UHFFFAOYSA-N -1 3 426.900 0.394 20 0 ICADHM CCNC(=O)NCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC001561588903 1073347017 /nfs/dbraw/zinc/34/70/17/1073347017.db2.gz UPQJPFSNPAYJAU-UHFFFAOYSA-N -1 3 432.446 0.125 20 0 ICADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(CN3CCOCC3)C2)c(OC)c1 ZINC001561597708 1073347678 /nfs/dbraw/zinc/34/76/78/1073347678.db2.gz BFRCKXFQNNHXSJ-UHFFFAOYSA-N -1 3 433.552 0.410 20 0 ICADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCn1cc(Br)ccc1=O ZINC001561605726 1073348140 /nfs/dbraw/zinc/34/81/40/1073348140.db2.gz DJAJEBFYXJHGJZ-UHFFFAOYSA-N -1 3 433.284 0.798 20 0 ICADHM COc1cccc([C@]2(C)NC(=O)N([N-]S(=O)(=O)C[C@@H](OC)C3CCOCC3)C2=O)c1 ZINC001561614376 1073348651 /nfs/dbraw/zinc/34/86/51/1073348651.db2.gz FFCXKVRCPVCRMK-APWZRJJASA-N -1 3 441.506 0.738 20 0 ICADHM COc1cccc([C@]2(C)NC(=O)N([N-]S(=O)(=O)C[C@H](OC)C3CCOCC3)C2=O)c1 ZINC001561614377 1073348489 /nfs/dbraw/zinc/34/84/89/1073348489.db2.gz FFCXKVRCPVCRMK-LPHOPBHVSA-N -1 3 441.506 0.738 20 0 ICADHM COc1cccc([C@@]2(C)NC(=O)N([N-]S(=O)(=O)C[C@H](OC)C3CCOCC3)C2=O)c1 ZINC001561614378 1073348576 /nfs/dbraw/zinc/34/85/76/1073348576.db2.gz FFCXKVRCPVCRMK-QFBILLFUSA-N -1 3 441.506 0.738 20 0 ICADHM COc1cccc([C@@]2(C)NC(=O)N([N-]S(=O)(=O)C[C@@H](OC)C3CCOCC3)C2=O)c1 ZINC001561614379 1073348426 /nfs/dbraw/zinc/34/84/26/1073348426.db2.gz FFCXKVRCPVCRMK-VQIMIIECSA-N -1 3 441.506 0.738 20 0 ICADHM O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)[N-][C@H]1COc2ccccc2[C@@H]1O ZINC001561617995 1073348871 /nfs/dbraw/zinc/34/88/71/1073348871.db2.gz DDVFFTLOQRFTPW-HKUYNNGSSA-N -1 3 446.481 0.713 20 0 ICADHM O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)[N-][C@@H]1COc2ccccc2[C@H]1O ZINC001561617996 1073348789 /nfs/dbraw/zinc/34/87/89/1073348789.db2.gz DDVFFTLOQRFTPW-IEBWSBKVSA-N -1 3 446.481 0.713 20 0 ICADHM O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)[N-][C@@H]1COc2ccccc2[C@@H]1O ZINC001561617997 1073348890 /nfs/dbraw/zinc/34/88/90/1073348890.db2.gz DDVFFTLOQRFTPW-MJGOQNOKSA-N -1 3 446.481 0.713 20 0 ICADHM O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)[N-][C@H]1COc2ccccc2[C@H]1O ZINC001561617998 1073348817 /nfs/dbraw/zinc/34/88/17/1073348817.db2.gz DDVFFTLOQRFTPW-PKOBYXMFSA-N -1 3 446.481 0.713 20 0 ICADHM Cn1ncc(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@H]2O)c1I ZINC001561618306 1073349056 /nfs/dbraw/zinc/34/90/56/1073349056.db2.gz MUISIZYTIANKCL-BXKDBHETSA-N -1 3 435.243 0.798 20 0 ICADHM Cn1ncc(S(=O)(=O)[N-][C@H]2COc3ccccc3[C@@H]2O)c1I ZINC001561618307 1073348849 /nfs/dbraw/zinc/34/88/49/1073348849.db2.gz MUISIZYTIANKCL-CABZTGNLSA-N -1 3 435.243 0.798 20 0 ICADHM Cn1ncc(S(=O)(=O)[N-][C@H]2COc3ccccc3[C@H]2O)c1I ZINC001561618308 1073349004 /nfs/dbraw/zinc/34/90/04/1073349004.db2.gz MUISIZYTIANKCL-JOYOIKCWSA-N -1 3 435.243 0.798 20 0 ICADHM Cn1ncc(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@@H]2O)c1I ZINC001561618309 1073348772 /nfs/dbraw/zinc/34/87/72/1073348772.db2.gz MUISIZYTIANKCL-SKDRFNHKSA-N -1 3 435.243 0.798 20 0 ICADHM NC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCN(C(N)=O)C2)c(Br)cc1F ZINC001561622399 1073349499 /nfs/dbraw/zinc/34/94/99/1073349499.db2.gz ULBIQUVGQPTPCH-MRVPVSSYSA-N -1 3 437.291 0.756 20 0 ICADHM NC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCN(C(N)=O)C2)c(Br)cc1F ZINC001561622400 1073349324 /nfs/dbraw/zinc/34/93/24/1073349324.db2.gz ULBIQUVGQPTPCH-QMMMGPOBSA-N -1 3 437.291 0.756 20 0 ICADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1F ZINC001561630491 1073350204 /nfs/dbraw/zinc/35/02/04/1073350204.db2.gz JSOPNFRGLLXCOZ-HUUCEWRRSA-N -1 3 435.499 0.255 20 0 ICADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC2(N3CCOCC3)CCOCC2)c1F ZINC001561636062 1073351164 /nfs/dbraw/zinc/35/11/64/1073351164.db2.gz KGRRXIUYSMEDJM-UHFFFAOYSA-N -1 3 434.461 0.911 20 0 ICADHM O=C(OCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)C1CC1 ZINC001561640799 1073351884 /nfs/dbraw/zinc/35/18/84/1073351884.db2.gz RGXIXXXAGJVPEG-UHFFFAOYSA-N -1 3 430.426 0.759 20 0 ICADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001561648272 1073352922 /nfs/dbraw/zinc/35/29/22/1073352922.db2.gz FTMCDVYHAIAEIY-UHFFFAOYSA-N -1 3 446.942 0.709 20 0 ICADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001561648272 1073352917 /nfs/dbraw/zinc/35/29/17/1073352917.db2.gz FTMCDVYHAIAEIY-UHFFFAOYSA-N -1 3 446.942 0.709 20 0 ICADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC2(N3CCOCC3)CCN(C)CC2)c1F ZINC001561651991 1073353227 /nfs/dbraw/zinc/35/32/27/1073353227.db2.gz DDYGUQROQQUFIL-UHFFFAOYSA-N -1 3 447.504 0.826 20 0 ICADHM Cn1cc(S(=O)(=O)[N-]C2(CCO)CN(C(=O)OC(C)(C)C)C2)c(Br)n1 ZINC001561663402 1073354813 /nfs/dbraw/zinc/35/48/13/1073354813.db2.gz OAZOGSSYNAHULS-UHFFFAOYSA-N -1 3 439.332 0.833 20 0 ICADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCc3nnnn3CC2)cc1F ZINC001561665005 1073355005 /nfs/dbraw/zinc/35/50/05/1073355005.db2.gz LHRTUYVXLJOUGC-LLVKDONJSA-N -1 3 432.503 0.647 20 0 ICADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCc3nnnn3CC2)cc1F ZINC001561665006 1073355103 /nfs/dbraw/zinc/35/51/03/1073355103.db2.gz LHRTUYVXLJOUGC-NSHDSACASA-N -1 3 432.503 0.647 20 0 ICADHM CS(C)(=O)=NC(=O)C[N-]S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001561668448 1073355405 /nfs/dbraw/zinc/35/54/05/1073355405.db2.gz QFEPQUKBMARTIZ-UHFFFAOYSA-N -1 3 431.536 0.961 20 0 ICADHM CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC001561673328 1073356642 /nfs/dbraw/zinc/35/66/42/1073356642.db2.gz FNPBWFMCMVZCRJ-JTQLQIEISA-N -1 3 429.442 0.284 20 0 ICADHM CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC001561673329 1073356432 /nfs/dbraw/zinc/35/64/32/1073356432.db2.gz FNPBWFMCMVZCRJ-SNVBAGLBSA-N -1 3 429.442 0.284 20 0 ICADHM CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1S(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1=O ZINC001561678542 1073356572 /nfs/dbraw/zinc/35/65/72/1073356572.db2.gz OAHJBIMZZLSLEE-ARFHVFGLSA-N -1 3 439.490 0.089 20 0 ICADHM CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1S(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1=O ZINC001561678543 1073356455 /nfs/dbraw/zinc/35/64/55/1073356455.db2.gz OAHJBIMZZLSLEE-BZUAXINKSA-N -1 3 439.490 0.089 20 0 ICADHM CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1S(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1=O ZINC001561678544 1073357056 /nfs/dbraw/zinc/35/70/56/1073357056.db2.gz OAHJBIMZZLSLEE-OAGGEKHMSA-N -1 3 439.490 0.089 20 0 ICADHM CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1S(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1=O ZINC001561678545 1073356941 /nfs/dbraw/zinc/35/69/41/1073356941.db2.gz OAHJBIMZZLSLEE-XHSDSOJGSA-N -1 3 439.490 0.089 20 0 ICADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(CNC(=O)N3C)CC2)c(OC)c1 ZINC001561679694 1073356893 /nfs/dbraw/zinc/35/68/93/1073356893.db2.gz GVKAMPASTOBOLW-UHFFFAOYSA-N -1 3 446.551 0.635 20 0 ICADHM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1Br ZINC001561681671 1073357431 /nfs/dbraw/zinc/35/74/31/1073357431.db2.gz VNAPSPPHBVULDL-SECBINFHSA-N -1 3 436.309 0.696 20 0 ICADHM 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CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCc3c(nnn3C)C2)cc1F ZINC001561695436 1073359886 /nfs/dbraw/zinc/35/98/86/1073359886.db2.gz HJYDJMAPCRDJDT-NSHDSACASA-N -1 3 431.515 0.942 20 0 ICADHM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)c(Br)cc1Cl ZINC001561696964 1073360207 /nfs/dbraw/zinc/36/02/07/1073360207.db2.gz KNNLHXZMHZSTFT-CYBMUJFWSA-N -1 3 441.687 0.812 20 0 ICADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)c(Br)cc1Cl ZINC001561696965 1073359921 /nfs/dbraw/zinc/35/99/21/1073359921.db2.gz KNNLHXZMHZSTFT-ZDUSSCGKSA-N -1 3 441.687 0.812 20 0 ICADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cnn(C)c2I)nc1 ZINC001561703321 1073361152 /nfs/dbraw/zinc/36/11/52/1073361152.db2.gz AQJBCYKHJKOHDU-UHFFFAOYSA-N -1 3 436.231 0.685 20 0 ICADHM CN([C@@H]1CCC(=O)N(C)C1)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC001561704079 1073361134 /nfs/dbraw/zinc/36/11/34/1073361134.db2.gz HRTBGKBJSAGHIR-LLVKDONJSA-N -1 3 443.469 0.769 20 0 ICADHM CN([C@H]1CCC(=O)N(C)C1)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 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CCOC(=O)[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)[N-]S(=O)(=O)CCN1CCOC1=O ZINC001561926457 1073400215 /nfs/dbraw/zinc/40/02/15/1073400215.db2.gz TYLOWCPTJSCSGI-CQSZACIVSA-N -1 3 449.526 0.547 20 0 ICADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 ZINC001561926697 1073401065 /nfs/dbraw/zinc/40/10/65/1073401065.db2.gz BBFSXLHPNUUQMH-GOSISDBHSA-N -1 3 442.545 0.701 20 0 ICADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 ZINC001561926698 1073400955 /nfs/dbraw/zinc/40/09/55/1073400955.db2.gz BBFSXLHPNUUQMH-SFHVURJKSA-N -1 3 442.545 0.701 20 0 ICADHM CN1CCN(C(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)Cc2noc(C3CC3)n2)CC1 ZINC001561926743 1073400933 /nfs/dbraw/zinc/40/09/33/1073400933.db2.gz CKNIZWCAUKCDNH-KRWDZBQOSA-N -1 3 433.534 0.752 20 0 ICADHM CN1CCN(C(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)Cc2noc(C3CC3)n2)CC1 ZINC001561926744 1073400825 /nfs/dbraw/zinc/40/08/25/1073400825.db2.gz CKNIZWCAUKCDNH-QGZVFWFLSA-N -1 3 433.534 0.752 20 0 ICADHM 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425.902 0.946 20 0 ICADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(CN3CCNC3=O)CC2)cc1F ZINC001561974276 1073414523 /nfs/dbraw/zinc/41/45/23/1073414523.db2.gz YGKBETTZBDJROE-UHFFFAOYSA-N -1 3 434.515 0.623 20 0 ICADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)CS(C)(=O)=O ZINC001561982201 1073415927 /nfs/dbraw/zinc/41/59/27/1073415927.db2.gz SBBKKFOMDQZPQD-MRVPVSSYSA-N -1 3 436.733 0.795 20 0 ICADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)CS(C)(=O)=O ZINC001561982202 1073415954 /nfs/dbraw/zinc/41/59/54/1073415954.db2.gz SBBKKFOMDQZPQD-QMMMGPOBSA-N -1 3 436.733 0.795 20 0 ICADHM COC(=O)c1cnc(CCNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)s1 ZINC001561983349 1073416647 /nfs/dbraw/zinc/41/66/47/1073416647.db2.gz GZCCNOOUULFUOO-UHFFFAOYSA-N -1 3 437.496 0.961 20 0 ICADHM Cc1cc(=O)[nH]c(N2CCC([N-]S(=O)(=O)c3cnn(C)c3Br)CC2)n1 ZINC001561988614 1073418078 /nfs/dbraw/zinc/41/80/78/1073418078.db2.gz NOTSGTXRDUHXJF-UHFFFAOYSA-N -1 3 431.316 0.934 20 0 ICADHM 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/nfs/dbraw/zinc/25/42/90/1072254290.db2.gz UDRDOMYZGXNWFE-DZGCQCFKSA-N -1 3 434.301 0.877 20 0 ICADHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H](CO)[C@@H](O)c1cccnc1 ZINC001587162666 1072254258 /nfs/dbraw/zinc/25/42/58/1072254258.db2.gz UDRDOMYZGXNWFE-HIFRSBDPSA-N -1 3 434.301 0.877 20 0 ICADHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H](CO)[C@H](O)c1cccnc1 ZINC001587162667 1072254153 /nfs/dbraw/zinc/25/41/53/1072254153.db2.gz UDRDOMYZGXNWFE-UKRRQHHQSA-N -1 3 434.301 0.877 20 0 ICADHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H](CO)[C@@H](O)c1cccnc1 ZINC001587162668 1072254313 /nfs/dbraw/zinc/25/43/13/1072254313.db2.gz UDRDOMYZGXNWFE-ZFWWWQNUSA-N -1 3 434.301 0.877 20 0 ICADHM COc1cc2[n-]cc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(=O)c2c(OC)c1 ZINC001587307357 1072034618 /nfs/dbraw/zinc/03/46/18/1072034618.db2.gz RKTQDYJQAIOVES-CYBMUJFWSA-N -1 3 435.502 0.490 20 0 ICADHM COc1cc2[n-]cc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c(=O)c2c(OC)c1 ZINC001587307359 1072034714 /nfs/dbraw/zinc/03/47/14/1072034714.db2.gz RKTQDYJQAIOVES-ZDUSSCGKSA-N -1 3 435.502 0.490 20 0 ICADHM CNS(=O)(=O)c1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cc1 ZINC001587441468 1072267932 /nfs/dbraw/zinc/26/79/32/1072267932.db2.gz OXZHRGJDBIOJDZ-UHFFFAOYSA-N -1 3 446.460 0.755 20 0 ICADHM CNS(=O)(=O)c1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])cc1 ZINC001587441468 1072267912 /nfs/dbraw/zinc/26/79/12/1072267912.db2.gz OXZHRGJDBIOJDZ-UHFFFAOYSA-N -1 3 446.460 0.755 20 0 ICADHM COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)cc([N-]S(C)(=O)=O)c1OC ZINC001587538597 1072274608 /nfs/dbraw/zinc/27/46/08/1072274608.db2.gz UUEBZWPYBNOAHF-UHFFFAOYSA-N -1 3 440.566 0.927 20 0 ICADHM CCN(CC)C(=O)CN1CCN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1 ZINC001587552361 1072275223 /nfs/dbraw/zinc/27/52/23/1072275223.db2.gz QEJMJWKQVLHCBW-UHFFFAOYSA-N -1 3 431.468 0.500 20 0 ICADHM CCN(CC)C(=O)CN1CCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1 ZINC001587552361 1072275215 /nfs/dbraw/zinc/27/52/15/1072275215.db2.gz QEJMJWKQVLHCBW-UHFFFAOYSA-N -1 3 431.468 0.500 20 0 ICADHM C[C@H](CC(=O)NC[C@@]12COC(=O)N1CCOC2)[N-]S(=O)(=O)c1cccnc1Cl ZINC001587635930 1072279391 /nfs/dbraw/zinc/27/93/91/1072279391.db2.gz FLLGCTZOMOQZBV-BDJLRTHQSA-N -1 3 432.886 0.129 20 0 ICADHM C[C@H](CC(=O)NC[C@]12COC(=O)N1CCOC2)[N-]S(=O)(=O)c1cccnc1Cl ZINC001587635931 1072279551 /nfs/dbraw/zinc/27/95/51/1072279551.db2.gz FLLGCTZOMOQZBV-BZNIZROVSA-N -1 3 432.886 0.129 20 0 ICADHM C[C@@H](CC(=O)NC[C@@]12COC(=O)N1CCOC2)[N-]S(=O)(=O)c1cccnc1Cl ZINC001587635932 1072279506 /nfs/dbraw/zinc/27/95/06/1072279506.db2.gz FLLGCTZOMOQZBV-MEDUHNTESA-N -1 3 432.886 0.129 20 0 ICADHM C[C@@H](CC(=O)NC[C@]12COC(=O)N1CCOC2)[N-]S(=O)(=O)c1cccnc1Cl ZINC001587635933 1072279278 /nfs/dbraw/zinc/27/92/78/1072279278.db2.gz FLLGCTZOMOQZBV-ZBEGNZNMSA-N -1 3 432.886 0.129 20 0 ICADHM O=C(NC[C@]12COC(=O)N1CCOC2)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC001587636377 1072279832 /nfs/dbraw/zinc/27/98/32/1072279832.db2.gz OXJAUEXWJRTUFO-KRWDZBQOSA-N -1 3 431.417 0.357 20 0 ICADHM O=C(NC[C@@]12COC(=O)N1CCOC2)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC001587636378 1072279972 /nfs/dbraw/zinc/27/99/72/1072279972.db2.gz OXJAUEXWJRTUFO-QGZVFWFLSA-N -1 3 431.417 0.357 20 0 ICADHM NS(=O)(=O)c1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cs1 ZINC001587727151 1072286103 /nfs/dbraw/zinc/28/61/03/1072286103.db2.gz NKRWYCVFPIJNBC-UHFFFAOYSA-N -1 3 449.507 0.808 20 0 ICADHM CCOc1n[n-]c(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC001587741033 1072286582 /nfs/dbraw/zinc/28/65/82/1072286582.db2.gz IGZDCVGKYLCYKA-UHFFFAOYSA-N -1 3 436.494 0.455 20 0 ICADHM CCOc1nc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n[n-]1 ZINC001587741033 1072286569 /nfs/dbraw/zinc/28/65/69/1072286569.db2.gz IGZDCVGKYLCYKA-UHFFFAOYSA-N -1 3 436.494 0.455 20 0 ICADHM CCOc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[n-]1 ZINC001587741033 1072286562 /nfs/dbraw/zinc/28/65/62/1072286562.db2.gz IGZDCVGKYLCYKA-UHFFFAOYSA-N -1 3 436.494 0.455 20 0 ICADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC001587979441 1072298805 /nfs/dbraw/zinc/29/88/05/1072298805.db2.gz JHOTXILUQZQWIJ-AWEZNQCLSA-N -1 3 428.417 0.138 20 0 ICADHM COC(=O)[C@H](CC1OCCO1)[N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC001588008793 1072301065 /nfs/dbraw/zinc/30/10/65/1072301065.db2.gz NURMBAZUHGUOIO-AWEZNQCLSA-N -1 3 430.404 0.666 20 0 ICADHM COC(=O)[C@@H](CC1OCCO1)[N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC001588008794 1072301109 /nfs/dbraw/zinc/30/11/09/1072301109.db2.gz NURMBAZUHGUOIO-CQSZACIVSA-N -1 3 430.404 0.666 20 0 ICADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCN(CCc2cnccn2)CC1 ZINC001588071521 1072313895 /nfs/dbraw/zinc/31/38/95/1072313895.db2.gz GFBXNLNYLUIUSV-UHFFFAOYSA-N -1 3 429.955 0.857 20 0 ICADHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2c(I)cnn2C)c(C)o1 ZINC001588105537 1072317262 /nfs/dbraw/zinc/31/72/62/1072317262.db2.gz BBYOAUWWHAQITQ-UHFFFAOYSA-N -1 3 438.247 0.764 20 0 ICADHM CCn1cc(CNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)c(=O)[nH]c1=O ZINC001588225880 1072327095 /nfs/dbraw/zinc/32/70/95/1072327095.db2.gz XRXGMECFJSCOBF-UHFFFAOYSA-N -1 3 428.417 0.618 20 0 ICADHM COCCn1cc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(=O)[nH]c1=O ZINC001588238106 1072328516 /nfs/dbraw/zinc/32/85/16/1072328516.db2.gz XNPXQPAWIGHPPV-UHFFFAOYSA-N -1 3 442.469 0.351 20 0 ICADHM COC(=O)c1ncoc1CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001588290669 1072330929 /nfs/dbraw/zinc/33/09/29/1072330929.db2.gz IMPUPYJMBWHNGW-UHFFFAOYSA-N -1 3 438.281 0.880 20 0 ICADHM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2=O)n1 ZINC001589195593 1072353592 /nfs/dbraw/zinc/35/35/92/1072353592.db2.gz VGQBVSMBPFSWMX-UHFFFAOYSA-N -1 3 427.509 0.518 20 0 ICADHM O=C(NCc1cn(C2CC2)c(=O)[nH]c1=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC001589287262 1072354213 /nfs/dbraw/zinc/35/42/13/1072354213.db2.gz JTZCFHXQRBZWTB-UHFFFAOYSA-N -1 3 440.428 0.933 20 0 ICADHM CC(C)(C)NS(=O)(=O)C1(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC001589370602 1072354687 /nfs/dbraw/zinc/35/46/87/1072354687.db2.gz CIGKTNXELCJPBR-UHFFFAOYSA-N -1 3 437.316 0.078 20 0 ICADHM O=C(NCc1nnc2n1CCNC2=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001589423314 1072355191 /nfs/dbraw/zinc/35/51/91/1072355191.db2.gz JEZGJCLNMJVVLH-UHFFFAOYSA-N -1 3 444.448 0.891 20 0 ICADHM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001593653348 1072360745 /nfs/dbraw/zinc/36/07/45/1072360745.db2.gz ZWVXOZYJPWUZDA-UHFFFAOYSA-N -1 3 436.469 0.906 20 0 ICADHM Cn1cnnc1[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC001593786349 1072363605 /nfs/dbraw/zinc/36/36/05/1072363605.db2.gz YGADSQJHCUGGEO-SECBINFHSA-N -1 3 434.341 0.934 20 0 ICADHM Cn1cnnc1[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC001593786350 1072363561 /nfs/dbraw/zinc/36/35/61/1072363561.db2.gz YGADSQJHCUGGEO-VIFPVBQESA-N -1 3 434.341 0.934 20 0 ICADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H](CO)CC1OCCO1 ZINC001593791857 1072363579 /nfs/dbraw/zinc/36/35/79/1072363579.db2.gz SHWYPYFVFWJEIY-JTQLQIEISA-N 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ZINC001593921063 1072365991 /nfs/dbraw/zinc/36/59/91/1072365991.db2.gz QZRXBHZBBNZCFM-UHFFFAOYSA-N -1 3 440.551 0.502 20 0 ICADHM O=C(c1sccc1S(=O)(=O)N1CCC(O)CC1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001593921063 1072365983 /nfs/dbraw/zinc/36/59/83/1072365983.db2.gz QZRXBHZBBNZCFM-UHFFFAOYSA-N -1 3 440.551 0.502 20 0 ICADHM CCc1ccc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC001593921781 1072365836 /nfs/dbraw/zinc/36/58/36/1072365836.db2.gz WMEIKMFDNCKOJX-UHFFFAOYSA-N -1 3 448.549 0.878 20 0 ICADHM CCc1ccc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC001593921781 1072365828 /nfs/dbraw/zinc/36/58/28/1072365828.db2.gz WMEIKMFDNCKOJX-UHFFFAOYSA-N -1 3 448.549 0.878 20 0 ICADHM NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC(Cc3nn[n-]n3)CC2)c1 ZINC001593921855 1072365959 /nfs/dbraw/zinc/36/59/59/1072365959.db2.gz XORXPZGNTRPAPC-UHFFFAOYSA-N -1 3 429.300 0.705 20 0 ICADHM NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC(Cc3nnn[n-]3)CC2)c1 ZINC001593921855 1072365950 /nfs/dbraw/zinc/36/59/50/1072365950.db2.gz 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