smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408676325 231093622 /nfs/dbraw/zinc/09/36/22/231093622.db2.gz NDHAMIAQGKXXAH-UHFFFAOYSA-N -1 3 396.440 2.076 40 0 GEABHM CN1C(=O)S/C(=C\c2cc(I)c([O-])cc2O)C1=O ZINC000408821664 530046274 /nfs/dbraw/zinc/04/62/74/530046274.db2.gz JXWYVGFQGRPBCG-OQFOIZHKSA-N -1 3 377.159 2.369 40 0 GEABHM CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)[N-]C(C)(C)C)c21 ZINC000003654941 204016826 /nfs/dbraw/zinc/01/68/26/204016826.db2.gz ZCPACQAQUUUZDB-UHFFFAOYSA-N -1 3 375.288 2.435 40 0 GEABHM CCc1c(C)nc(NC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[n-]c1=O ZINC000012114047 204372674 /nfs/dbraw/zinc/37/26/74/204372674.db2.gz RHVGBIFCEGBLLC-UHFFFAOYSA-N -1 3 384.436 2.086 40 0 GEABHM O=C(c1cccc(F)c1)N1CCC(n2nnc3c2nc(C2CC2)[n-]c3=O)CC1 ZINC000012133616 204374079 /nfs/dbraw/zinc/37/40/79/204374079.db2.gz QIJYQPCRKNXADY-UHFFFAOYSA-N -1 3 382.399 2.421 40 0 GEABHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223889368 206008693 /nfs/dbraw/zinc/00/86/93/206008693.db2.gz FATWEZFVFHRHOV-NSHDSACASA-N -1 3 387.454 2.277 40 0 GEABHM O=C([O-])[C@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000072228539 206209211 /nfs/dbraw/zinc/20/92/11/206209211.db2.gz VRKQDUNZQDQNBT-SFHVURJKSA-N -1 3 379.460 2.446 40 0 GEABHM CN1CCN(c2ccc(NC(=O)c3ccccc3[N-]S(C)(=O)=O)cc2)CC1 ZINC000062106990 136156357 /nfs/dbraw/zinc/15/63/57/136156357.db2.gz PTKJVHJNHCCZNK-UHFFFAOYSA-N -1 3 388.493 2.062 40 0 GEABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1 ZINC000020800153 570281325 /nfs/dbraw/zinc/28/13/25/570281325.db2.gz HMIYWVUCTFPWJP-CQSZACIVSA-N -1 3 381.436 2.133 40 0 GEABHM CC1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2)CC(=O)N3)CC1 ZINC000022610043 570323079 /nfs/dbraw/zinc/32/30/79/570323079.db2.gz ZMGPQTJAHVKHRE-CQSZACIVSA-N -1 3 381.436 2.071 40 0 GEABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21 ZINC000022610256 570323177 /nfs/dbraw/zinc/32/31/77/570323177.db2.gz WOVYOKCSHHKNDB-CQSZACIVSA-N -1 3 395.463 2.379 40 0 GEABHM COC(=O)c1ccccc1NC(=O)[C@@H](CC(=O)[O-])N[C@H]1CCO[C@H](C(C)C)C1 ZINC000102810081 570721027 /nfs/dbraw/zinc/72/10/27/570721027.db2.gz DUUDWMCVSQHQFB-XKQJLSEDSA-N -1 3 392.452 2.048 40 0 GEABHM O=C(C[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)NCc1ccco1 ZINC000585095750 570922250 /nfs/dbraw/zinc/92/22/50/570922250.db2.gz IAIVXDDUELETRT-INIZCTEOSA-N -1 3 380.404 2.085 40 0 GEABHM C[C@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1C(=O)c1cccc([O-])c1 ZINC000585096346 570922997 /nfs/dbraw/zinc/92/29/97/570922997.db2.gz JPWVBWZECQNUJR-AWEZNQCLSA-N -1 3 391.431 2.131 40 0 GEABHM CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccc(F)cc1)C2 ZINC000019017163 570954577 /nfs/dbraw/zinc/95/45/77/570954577.db2.gz YXDCXFXVNMNWLN-KRWDZBQOSA-N -1 3 384.411 2.203 40 0 GEABHM CC(C)c1cc(=O)[n-]c([C@@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc32)n1 ZINC000019452523 570986220 /nfs/dbraw/zinc/98/62/20/570986220.db2.gz KSTOQNIGACUVCO-SJORKVTESA-N -1 3 380.448 2.432 40 0 GEABHM CCC(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)C(C)C)CC3)n2)C1 ZINC000019498716 570991276 /nfs/dbraw/zinc/99/12/76/570991276.db2.gz IMKWZVSZSGNUFX-INIZCTEOSA-N -1 3 388.512 2.248 40 0 GEABHM CCC(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000019498717 570991301 /nfs/dbraw/zinc/99/13/01/570991301.db2.gz OUPDFVZFPZZUNO-MRXNPFEDSA-N -1 3 386.496 2.002 40 0 GEABHM COc1ccc(CN2CC[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c(OC)c1 ZINC000019552194 571001419 /nfs/dbraw/zinc/00/14/19/571001419.db2.gz OTWTZFHASQFAKE-OAHLLOKOSA-N -1 3 384.480 2.377 40 0 GEABHM Cc1nonc1CC(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1 ZINC000019558978 571004449 /nfs/dbraw/zinc/00/44/49/571004449.db2.gz PZAYYGVZFCBADL-LBPRGKRZSA-N -1 3 385.449 2.139 40 0 GEABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408595623 231073226 /nfs/dbraw/zinc/07/32/26/231073226.db2.gz SKTCLTFMLWPCFO-CYBMUJFWSA-N -1 3 396.440 2.156 40 0 GEABHM COC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000005500526 204136729 /nfs/dbraw/zinc/13/67/29/204136729.db2.gz JAPISWCCMIZCQS-LLVKDONJSA-N -1 3 381.310 2.086 40 0 GEABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1OC ZINC000007055471 204231045 /nfs/dbraw/zinc/23/10/45/204231045.db2.gz OWXUSYAPKNHAEA-UHFFFAOYSA-N -1 3 378.450 2.341 40 0 GEABHM Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H]2Cn2nnc3c2nc(C)[n-]c3=O)cc1 ZINC000012084911 204370676 /nfs/dbraw/zinc/37/06/76/204370676.db2.gz JWKXCRHASPXPAA-CZUORRHYSA-N -1 3 380.452 2.338 40 0 GEABHM COc1ccc([C@H](NC(=O)CC[C@@]2(C)NC(=O)[N-]C2=O)c2ccccc2)cc1 ZINC000019460287 204646256 /nfs/dbraw/zinc/64/62/56/204646256.db2.gz CSGDTTSRGVEEPP-WIYYLYMNSA-N -1 3 381.432 2.279 40 0 GEABHM COc1ccc(NC(=O)C2([N-]S(=O)(=O)c3cccs3)CC2)cc1OC ZINC000225930292 206085114 /nfs/dbraw/zinc/08/51/14/206085114.db2.gz UYNLMKSEIDWQLA-UHFFFAOYSA-N -1 3 382.463 2.215 40 0 GEABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)cc1OC ZINC000113941868 136192216 /nfs/dbraw/zinc/19/22/16/136192216.db2.gz XKIYXHWEKLQFHF-UHFFFAOYSA-N -1 3 391.493 2.256 40 0 GEABHM CCOc1c(N2CCN[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000005845109 535655238 /nfs/dbraw/zinc/65/52/38/535655238.db2.gz OWEQWFYVHJAGCR-NSHDSACASA-N -1 3 389.427 2.371 40 0 GEABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c1 ZINC000019961210 570233861 /nfs/dbraw/zinc/23/38/61/570233861.db2.gz SPRGSUQOKMVOMB-AWEZNQCLSA-N -1 3 381.436 2.051 40 0 GEABHM CCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009305 570234487 /nfs/dbraw/zinc/23/44/87/570234487.db2.gz PLWDZKRXAYHTGL-HNNXBMFYSA-N -1 3 396.896 2.374 40 0 GEABHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(OC)c(OC)c1OC ZINC000223712978 570480773 /nfs/dbraw/zinc/48/07/73/570480773.db2.gz VKHUBNTWUGAUGP-UHFFFAOYSA-N -1 3 385.413 2.339 40 0 GEABHM O=C(C[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)NC1CC(F)(F)C1 ZINC000585095680 570922192 /nfs/dbraw/zinc/92/21/92/570922192.db2.gz BDVQRYCXXXPZSH-HNNXBMFYSA-N -1 3 390.390 2.090 40 0 GEABHM O=C(C1CC1)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)C3CCCC3)nc2C1 ZINC000019014541 570954154 /nfs/dbraw/zinc/95/41/54/570954154.db2.gz JIKUDJHHARSPIG-SFHVURJKSA-N -1 3 398.507 2.308 40 0 GEABHM COc1ccc(CC[NH2+][C@@H](C)[C@H](O)c2ccc([N-]S(C)(=O)=O)c([O-])c2)cc1 ZINC000084758832 570972652 /nfs/dbraw/zinc/97/26/52/570972652.db2.gz UOEHIRNDXGQHLQ-DJJJIMSYSA-N -1 3 394.493 2.027 40 0 in-man GEABHM C[C@H](C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CCN(C)C3)CC1)c1ccccc1 ZINC000019459104 570987930 /nfs/dbraw/zinc/98/79/30/570987930.db2.gz ZFPVXNXNPZLFQU-HNNXBMFYSA-N -1 3 380.492 2.268 40 0 GEABHM CCC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(OC)cc2)C3)C1 ZINC000019498510 570990754 /nfs/dbraw/zinc/99/07/54/570990754.db2.gz FLXCOAJBAWBDRC-MRXNPFEDSA-N -1 3 396.491 2.475 40 0 GEABHM CCC(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000019498718 570991245 /nfs/dbraw/zinc/99/12/45/570991245.db2.gz OUPDFVZFPZZUNO-INIZCTEOSA-N -1 3 386.496 2.002 40 0 GEABHM CCc1c(C)nc([C@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc32)[n-]c1=O ZINC000019521571 570994491 /nfs/dbraw/zinc/99/44/91/570994491.db2.gz ZTKFFFWEXINTIU-IAGOWNOFSA-N -1 3 380.448 2.179 40 0 GEABHM COc1ccc(OC)c(CN2CCc3c(nc(N4CCCCC4)[n-]c3=O)C2)c1 ZINC000019551653 571001456 /nfs/dbraw/zinc/00/14/56/571001456.db2.gz GCGQZYBHTDRUGB-UHFFFAOYSA-N -1 3 384.480 2.336 40 0 GEABHM COc1ccc(CC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019554064 571002498 /nfs/dbraw/zinc/00/24/98/571002498.db2.gz IVKCXQSDHSHKAD-KRWDZBQOSA-N -1 3 390.443 2.399 40 0 GEABHM Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)s1 ZINC000019560060 571004954 /nfs/dbraw/zinc/00/49/54/571004954.db2.gz PDWGJHVBBYLWDA-ZDUSSCGKSA-N -1 3 387.509 2.263 40 0 GEABHM Cc1nnsc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C)n1 ZINC000019563588 571006601 /nfs/dbraw/zinc/00/66/01/571006601.db2.gz SJLBRXZQCBXKCS-HNNXBMFYSA-N -1 3 394.460 2.433 40 0 GEABHM COc1cccc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)c1OC ZINC000019568076 571008795 /nfs/dbraw/zinc/00/87/95/571008795.db2.gz GDGNCFRFMGQWIS-UHFFFAOYSA-N -1 3 392.459 2.450 40 0 GEABHM CN(C)CC(=O)N1CCc2nc([C@@H]3CCCN3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019581786 571013740 /nfs/dbraw/zinc/01/37/40/571013740.db2.gz VJQRWVJBWQMVQL-SFHVURJKSA-N -1 3 387.528 2.098 40 0 GEABHM COCc1ccc(OC)c(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1 ZINC000019594361 571020325 /nfs/dbraw/zinc/02/03/25/571020325.db2.gz NQWPEUGNOIHXMX-UHFFFAOYSA-N -1 3 398.507 2.126 40 0 GEABHM CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408554926 529866259 /nfs/dbraw/zinc/86/62/59/529866259.db2.gz VPAQIKBUOTZMEN-UHFFFAOYSA-N -1 3 384.841 2.274 40 0 GEABHM CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408636474 529866267 /nfs/dbraw/zinc/86/62/67/529866267.db2.gz QULWVCPPRDHSLK-UHFFFAOYSA-N -1 3 384.841 2.274 40 0 GEABHM O=C(COc1ccc(Cl)cc1Cl)[N-]N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000004363357 204041521 /nfs/dbraw/zinc/04/15/21/204041521.db2.gz UXXQFUHSXRXCPI-NWQDQBDJSA-N -1 3 381.215 2.211 40 0 GEABHM CC(=O)Oc1ccc(CN2CCc3c(nc(N4CCC(C)CC4)[n-]c3=O)C2)cc1 ZINC000012184832 204380312 /nfs/dbraw/zinc/38/03/12/204380312.db2.gz FTZZNLFXLSWJRY-UHFFFAOYSA-N -1 3 396.491 2.490 40 0 GEABHM CCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc(C(F)(F)F)c1 ZINC000071980183 205302035 /nfs/dbraw/zinc/30/20/35/205302035.db2.gz NAIRYOQASBIYCZ-AWEZNQCLSA-N -1 3 386.370 2.443 40 0 GEABHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)c(Cl)c1 ZINC000225265794 206041952 /nfs/dbraw/zinc/04/19/52/206041952.db2.gz MFQVMTGMGIPEDO-LBPRGKRZSA-N -1 3 396.852 2.281 40 0 GEABHM CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000257297937 206174428 /nfs/dbraw/zinc/17/44/28/206174428.db2.gz RJKWUZYEKIPYBE-INIZCTEOSA-N -1 3 393.447 2.119 40 0 GEABHM O=C(c1ncccc1[O-])N1CCC[C@@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257274923 206170783 /nfs/dbraw/zinc/17/07/83/206170783.db2.gz NNGDIFAVYRGTFL-QFIPXVFZSA-N -1 3 381.476 2.203 40 0 GEABHM COc1cc(CN2CCc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c3C2)ccc1O ZINC000072347469 136169042 /nfs/dbraw/zinc/16/90/42/136169042.db2.gz NHYBTMMFCDKUGI-AWEZNQCLSA-N -1 3 384.480 2.279 40 0 GEABHM COc1ccccc1NC(=O)C(=O)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000409347953 534165437 /nfs/dbraw/zinc/16/54/37/534165437.db2.gz PDPBBZCEZCZKFK-QLJPJBMISA-N -1 3 385.342 2.273 40 0 GEABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21 ZINC000020800161 570281197 /nfs/dbraw/zinc/28/11/97/570281197.db2.gz OWHWYYWRVGQYEG-CQSZACIVSA-N -1 3 395.463 2.387 40 0 GEABHM COC(=O)c1cc(NC(=O)c2c[n-]c3ccccc3c2=O)cc(C(=O)OC)c1 ZINC000022234003 570308868 /nfs/dbraw/zinc/30/88/68/570308868.db2.gz DMGWODCJANSANR-UHFFFAOYSA-N -1 3 380.356 2.354 40 0 GEABHM COC(=O)c1cc(NC(=O)c2cnc3ccccc3c2[O-])cc(C(=O)OC)c1 ZINC000022234003 570308869 /nfs/dbraw/zinc/30/88/69/570308869.db2.gz DMGWODCJANSANR-UHFFFAOYSA-N -1 3 380.356 2.354 40 0 GEABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21 ZINC000022609927 570323309 /nfs/dbraw/zinc/32/33/09/570323309.db2.gz NLLUUQAKIDFDAA-ZDUSSCGKSA-N -1 3 381.436 2.133 40 0 GEABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21 ZINC000022610258 570323329 /nfs/dbraw/zinc/32/33/29/570323329.db2.gz WOVYOKCSHHKNDB-AWEZNQCLSA-N -1 3 395.463 2.379 40 0 GEABHM Cc1cc(C)c2cc3c(N)c(C(=O)Nc4c[nH]c(=O)[n-]c4=O)sc3nc2c1 ZINC000004848767 570634764 /nfs/dbraw/zinc/63/47/64/570634764.db2.gz WZOGSETVPLWPSB-UHFFFAOYSA-N -1 3 381.417 2.277 40 0 GEABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)C4CC4)C2)[n-]c3=O)cc1 ZINC000005738612 570664454 /nfs/dbraw/zinc/66/44/54/570664454.db2.gz NOSXUJWKLWVPBY-INIZCTEOSA-N -1 3 392.463 2.400 40 0 GEABHM Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)C4CC4)C2)[n-]c3=O)cc1 ZINC000005738592 570664682 /nfs/dbraw/zinc/66/46/82/570664682.db2.gz NOSXUJWKLWVPBY-MRXNPFEDSA-N -1 3 392.463 2.400 40 0 GEABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NC[C@@H]1CCCO1 ZINC000016490332 570926428 /nfs/dbraw/zinc/92/64/28/570926428.db2.gz FTSDEETZSNUEET-KRWDZBQOSA-N -1 3 390.461 2.161 40 0 GEABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016576586 570928299 /nfs/dbraw/zinc/92/82/99/570928299.db2.gz NLQNQOOEVJEISY-AWEZNQCLSA-N -1 3 378.450 2.017 40 0 GEABHM O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019014533 570954049 /nfs/dbraw/zinc/95/40/49/570954049.db2.gz ZUUAOSONIUXEBB-MRXNPFEDSA-N -1 3 398.507 2.373 40 0 GEABHM COc1cc(C)ccc1CN1CCc2nc(-c3cnccn3)[n-]c(=O)c2CC1 ZINC000019134123 570958569 /nfs/dbraw/zinc/95/85/69/570958569.db2.gz FEEMCMHKNXNXAU-UHFFFAOYSA-N -1 3 377.448 2.145 40 0 GEABHM O=C(Cn1cccn1)N[C@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000019369336 570980678 /nfs/dbraw/zinc/98/06/78/570980678.db2.gz XUWQBPGXITXDTM-GOSISDBHSA-N -1 3 377.448 2.334 40 0 GEABHM COc1ccc(C=C2N[C@H](c3ccc(NC(=O)c4nc[n-]n4)cc3)OC2=O)cc1 ZINC000019419226 570983750 /nfs/dbraw/zinc/98/37/50/570983750.db2.gz KUYQMHQZHVGARY-LZOLKVDOSA-N -1 3 391.387 2.252 40 0 GEABHM CC(C)[C@H](NC(=O)c1cccc(F)c1F)c1cc(=O)[n-]c(N2CCOCC2)n1 ZINC000019445541 570983805 /nfs/dbraw/zinc/98/38/05/570983805.db2.gz UQKLESAKSZRGTE-KRWDZBQOSA-N -1 3 392.406 2.012 40 0 GEABHM CSCC[C@@H](NC(=O)c1ccncc1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019574009 571011012 /nfs/dbraw/zinc/01/10/12/571011012.db2.gz LECACWDDGNVOKQ-OAHLLOKOSA-N -1 3 381.461 2.451 40 0 GEABHM CSCC[C@@H](NC(=O)c1cccnc1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019574003 571011257 /nfs/dbraw/zinc/01/12/57/571011257.db2.gz RSKZTKWOJPJKDC-OAHLLOKOSA-N -1 3 381.461 2.451 40 0 GEABHM COc1cc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)cc(OC)c1 ZINC000019595130 571020947 /nfs/dbraw/zinc/02/09/47/571020947.db2.gz MHNMTQVGQHHFHO-UHFFFAOYSA-N -1 3 378.432 2.407 40 0 GEABHM COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000409375991 231197175 /nfs/dbraw/zinc/19/71/75/231197175.db2.gz RTJPGRRZFLGRQK-UHFFFAOYSA-N -1 3 392.477 2.246 40 0 GEABHM O=C([O-])c1[nH]c(=O)n(-c2cccc(Cl)c2Cl)c(=O)c1CN1CCCC1 ZINC000222668525 532485705 /nfs/dbraw/zinc/48/57/05/532485705.db2.gz CIYFRNSBCRIFSG-UHFFFAOYSA-N -1 3 384.219 2.127 40 0 GEABHM O=C([O-])c1[nH]c(=O)n(-c2cc(Cl)cc(Cl)c2)c(=O)c1CN1CCCC1 ZINC000222669864 532485860 /nfs/dbraw/zinc/48/58/60/532485860.db2.gz RHDFYCOFZZSKKB-UHFFFAOYSA-N -1 3 384.219 2.127 40 0 GEABHM COc1ccc(CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1OC ZINC000065123127 205212142 /nfs/dbraw/zinc/21/21/42/205212142.db2.gz RVWPIIJTRGDCTN-UHFFFAOYSA-N -1 3 392.477 2.438 40 0 GEABHM Cc1cc(C(F)F)nn1[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1Cc1c(=O)[n-]c(C)nc1C2 ZINC000072373142 205338630 /nfs/dbraw/zinc/33/86/30/205338630.db2.gz KRVHHXGRZVJXNY-WCFLWFBJSA-N -1 3 391.422 2.240 40 0 GEABHM CCOc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000224889155 206030880 /nfs/dbraw/zinc/03/08/80/206030880.db2.gz NCKVULABLKFTNK-UHFFFAOYSA-N -1 3 384.483 2.010 40 0 GEABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1N1C(=O)CCC1=O ZINC000225122131 206037667 /nfs/dbraw/zinc/03/76/67/206037667.db2.gz GPHQUOQJSWZZRX-UHFFFAOYSA-N -1 3 378.381 2.289 40 0 GEABHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000225349572 206044160 /nfs/dbraw/zinc/04/41/60/206044160.db2.gz UPHLZVUPEJUAGM-SNVBAGLBSA-N -1 3 384.483 2.181 40 0 GEABHM COc1ccc(NC(=O)C2([N-]S(=O)(=O)c3cccs3)CC2)c(OC)c1 ZINC000225930315 206086270 /nfs/dbraw/zinc/08/62/70/206086270.db2.gz IDSBTYMUAHWXHF-UHFFFAOYSA-N -1 3 382.463 2.215 40 0 GEABHM O=C(Cc1cc(=O)n2[n-]cc(-c3ccc(F)cc3)c2n1)NCCN1CCCCC1 ZINC000306143997 206207546 /nfs/dbraw/zinc/20/75/46/206207546.db2.gz YSWDJMYVCIUDFF-UHFFFAOYSA-N -1 3 397.454 2.386 40 0 GEABHM Cc1oc2ccccc2c1CN1CCc2c(nc(N3CCOCC3)[n-]c2=O)C1 ZINC000072335527 136168353 /nfs/dbraw/zinc/16/83/53/136168353.db2.gz QXJKRUOAGTTZKF-UHFFFAOYSA-N -1 3 380.448 2.219 40 0 GEABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)c1 ZINC000027944519 570445242 /nfs/dbraw/zinc/44/52/42/570445242.db2.gz QCZWZXXESFAXFK-GFCCVEGCSA-N -1 3 397.836 2.245 40 0 GEABHM CN(C)c1cccc(C(=O)N2CCC(Nc3nc4c(c(=O)[n-]3)CCCC4)CC2)c1 ZINC000012113692 570609545 /nfs/dbraw/zinc/60/95/45/570609545.db2.gz FNSOVDODPNGQDF-UHFFFAOYSA-N -1 3 395.507 2.431 40 0 GEABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388825 570743865 /nfs/dbraw/zinc/74/38/65/570743865.db2.gz BMTCFXFLDAOMAU-ZFWWWQNUSA-N -1 3 395.463 2.379 40 0 GEABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NC[C@H]1CCCO1 ZINC000016490337 570926440 /nfs/dbraw/zinc/92/64/40/570926440.db2.gz FTSDEETZSNUEET-QGZVFWFLSA-N -1 3 390.461 2.161 40 0 GEABHM CC(C)c1cc(=O)[n-]c([C@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc32)n1 ZINC000019452525 570986255 /nfs/dbraw/zinc/98/62/55/570986255.db2.gz KSTOQNIGACUVCO-IAGOWNOFSA-N -1 3 380.448 2.432 40 0 GEABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2c(F)cccc2F)C3)C[C@@H](C)O1 ZINC000019497573 570990477 /nfs/dbraw/zinc/99/04/77/570990477.db2.gz LRWUNUWUNBZSSE-CHWSQXEVSA-N -1 3 390.434 2.220 40 0 GEABHM CCc1cc(=O)[n-]c([C@@H]2CCCN2C(=O)c2cc(OC)c(OC)c(OC)c2)n1 ZINC000019522540 570995291 /nfs/dbraw/zinc/99/52/91/570995291.db2.gz RMZMDEJFHFKNMN-AWEZNQCLSA-N -1 3 387.436 2.335 40 0 GEABHM COc1ccccc1CC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1 ZINC000019590259 571017283 /nfs/dbraw/zinc/01/72/83/571017283.db2.gz JKPUAAAUSHZSLB-MRXNPFEDSA-N -1 3 396.491 2.127 40 0 GEABHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2[nH]c1=O ZINC000013582102 531561185 /nfs/dbraw/zinc/56/11/85/531561185.db2.gz KAFRKWABNMNBAH-UHFFFAOYSA-N -1 3 386.216 2.324 40 0 GEABHM CCCn1nnnc1NC(=S)[N-]C(=O)COc1ccc(Cl)cc1Cl ZINC000006462593 204180229 /nfs/dbraw/zinc/18/02/29/204180229.db2.gz ICFHBWAKUGLOMR-UHFFFAOYSA-N -1 3 389.268 2.282 40 0 GEABHM O=C1N[C@@H](c2cccc(O)c2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000011859241 204357288 /nfs/dbraw/zinc/35/72/88/204357288.db2.gz ARGKQMOEZGOHNI-ZQIUZPCESA-N -1 3 380.322 2.496 40 0 GEABHM CCn1c2cc(Cl)c(S(=O)(=O)[N-]CCc3c(C)noc3C)cc2oc1=O ZINC000012239350 204386295 /nfs/dbraw/zinc/38/62/95/204386295.db2.gz KGMGDIPNXOPAQU-UHFFFAOYSA-N -1 3 399.856 2.394 40 0 GEABHM COc1ccc([C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000012337959 204398757 /nfs/dbraw/zinc/39/87/57/204398757.db2.gz YRTPHUPNKJJANH-RBUKOAKNSA-N -1 3 396.491 2.305 40 0 GEABHM C[C@H](CC(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1)n1cncn1 ZINC000019455230 204644295 /nfs/dbraw/zinc/64/42/95/204644295.db2.gz OJQRHENIORAQKL-ZIAGYGMSSA-N -1 3 398.492 2.447 40 0 GEABHM COc1cc(C(=O)N2CCC[C@H]2c2nc(C)c(C)c(=O)[n-]2)cc(OC)c1OC ZINC000019555513 204654185 /nfs/dbraw/zinc/65/41/85/204654185.db2.gz AOBZAGBLKCUSOM-AWEZNQCLSA-N -1 3 387.436 2.390 40 0 GEABHM CCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc(Br)c1 ZINC000071980185 205301609 /nfs/dbraw/zinc/30/16/09/205301609.db2.gz YJKQWHDDACECHA-AWEZNQCLSA-N -1 3 397.269 2.187 40 0 GEABHM Cc1ccc2occ(CN3CCc4c(=O)[n-]c(N5CCCC5)nc4C3)c(=O)c2c1 ZINC000072335541 205328535 /nfs/dbraw/zinc/32/85/35/205328535.db2.gz NXDIWWBIXIDTAT-UHFFFAOYSA-N -1 3 392.459 2.343 40 0 GEABHM COc1ccc(F)cc1S(=O)(=O)[N-]c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000113970782 205682104 /nfs/dbraw/zinc/68/21/04/205682104.db2.gz DSWYCAYIUJHJET-UHFFFAOYSA-N -1 3 391.424 2.433 40 0 GEABHM Cc1nc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c([nH]c(=O)[n-]c2=O)O3)cs1 ZINC000257217313 206161913 /nfs/dbraw/zinc/16/19/13/206161913.db2.gz CYLNDLPYEWFUIB-QGHHPUGFSA-N -1 3 376.438 2.262 40 0 GEABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21 ZINC000223053982 136205546 /nfs/dbraw/zinc/20/55/46/136205546.db2.gz LVKCSDJUQSMSFS-TZMCWYRMSA-N -1 3 395.463 2.379 40 0 GEABHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)c1 ZINC000223795199 136205947 /nfs/dbraw/zinc/20/59/47/136205947.db2.gz NPHAVBLXNXGXTM-UHFFFAOYSA-N -1 3 389.477 2.026 40 0 GEABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC)cc2)cc1 ZINC000408600422 528554870 /nfs/dbraw/zinc/55/48/70/528554870.db2.gz AXPDNHKTGYACGA-ZDUSSCGKSA-N -1 3 378.450 2.399 40 0 GEABHM CCOc1c(N2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000005845104 535655368 /nfs/dbraw/zinc/65/53/68/535655368.db2.gz OWEQWFYVHJAGCR-LLVKDONJSA-N -1 3 389.427 2.371 40 0 GEABHM COc1ccc2c(c1)O[C@@](OC)(c1ccc(OC)c(OC)c1)[C@@]([O-])(OC)C2=O ZINC000001674564 570266839 /nfs/dbraw/zinc/26/68/39/570266839.db2.gz PLONMEOULHBJFT-PMACEKPBSA-N -1 3 390.388 2.122 40 0 GEABHM COc1cccc(-c2nnc(NC(=O)CCc3c(C)[n-][nH]c3=O)s2)c1OC ZINC000100786825 570278030 /nfs/dbraw/zinc/27/80/30/570278030.db2.gz JMJKDAICWCVYES-SNVBAGLBSA-N -1 3 389.437 2.063 40 0 GEABHM CCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000018188293 570922666 /nfs/dbraw/zinc/92/26/66/570922666.db2.gz MULIULNNBQLISR-OAHLLOKOSA-N -1 3 380.452 2.481 40 0 GEABHM COc1ccc([C@@H](NC(=O)CC[C@]2(C)NC(=O)[N-]C2=O)c2ccccc2)cc1 ZINC000019460289 570988446 /nfs/dbraw/zinc/98/84/46/570988446.db2.gz CSGDTTSRGVEEPP-RXVVDRJESA-N -1 3 381.432 2.279 40 0 GEABHM COc1ccccc1CN1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[n-]c2=O)C1 ZINC000019497609 570990581 /nfs/dbraw/zinc/99/05/81/570990581.db2.gz KGPIZTSFFZVSIR-GASCZTMLSA-N -1 3 384.480 2.363 40 0 GEABHM CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4cccnc4)C3)[n-]c(=O)c2C1 ZINC000019501597 570993148 /nfs/dbraw/zinc/99/31/48/570993148.db2.gz HLZJFZGFGOBLDF-KRWDZBQOSA-N -1 3 395.507 2.229 40 0 GEABHM COc1cc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)cc(OC)c1O ZINC000019549446 571000335 /nfs/dbraw/zinc/00/03/35/571000335.db2.gz PTCSYIRLGWLVNM-UHFFFAOYSA-N -1 3 394.431 2.113 40 0 GEABHM COCC(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000019592985 571019589 /nfs/dbraw/zinc/01/95/89/571019589.db2.gz AYNZRLPPVVYGKE-KRWDZBQOSA-N -1 3 382.395 2.017 40 0 GEABHM COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC000019594679 571020417 /nfs/dbraw/zinc/02/04/17/571020417.db2.gz XXTIRHYIXVUUIK-MRXNPFEDSA-N -1 3 390.443 2.399 40 0 GEABHM CCOC(=O)[C@H]1[C@@H](c2ccc(OC(F)F)cc2)NC(=O)[N-][C@@]1(O)C(F)(F)F ZINC000011859072 204357047 /nfs/dbraw/zinc/35/70/47/204357047.db2.gz BQZLQFWSSMGXOK-RULNRJAQSA-N -1 3 398.284 2.072 40 0 GEABHM Cc1cc(=O)[n-]c(NC(=O)CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000019719782 570210935 /nfs/dbraw/zinc/21/09/35/570210935.db2.gz YWHWOLQXVHNNSG-AWEZNQCLSA-N -1 3 380.452 2.260 40 0 GEABHM COc1ccc2c(c1)O[C@](OC)(c1ccc(OC)c(OC)c1)[C@]([O-])(OC)C2=O ZINC000001674565 570266694 /nfs/dbraw/zinc/26/66/94/570266694.db2.gz PLONMEOULHBJFT-WOJBJXKFSA-N -1 3 390.388 2.122 40 0 GEABHM CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(=O)[n-]c(C)n2)CC1 ZINC000100750155 570276439 /nfs/dbraw/zinc/27/64/39/570276439.db2.gz IPQWIVJHYQKXIS-YRNRMSPPSA-N -1 3 397.479 2.299 40 0 GEABHM Cc1ccc(Cl)cc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCCC2)c1=O ZINC000222667733 570419647 /nfs/dbraw/zinc/41/96/47/570419647.db2.gz PKAZCMAQINHNPZ-UHFFFAOYSA-N -1 3 377.828 2.172 40 0 GEABHM COC(=O)[C@]([O-])(c1ccc(N2C(=O)C3=CCC=C[C@H]3C2=O)c(C)c1)C(F)(F)F ZINC000105337173 570426532 /nfs/dbraw/zinc/42/65/32/570426532.db2.gz IRRYFWCAEKAMGR-FHSNZYRGSA-N -1 3 395.333 2.150 40 0 GEABHM COC(=O)[C@]([O-])(c1ccc(N2C(=O)C3=CCC=C[C@@H]3C2=O)c(C)c1)C(F)(F)F ZINC000105337173 570426535 /nfs/dbraw/zinc/42/65/35/570426535.db2.gz IRRYFWCAEKAMGR-FHSNZYRGSA-N -1 3 395.333 2.150 40 0 GEABHM COc1ccc(NC(=O)C(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000004199524 570622943 /nfs/dbraw/zinc/62/29/43/570622943.db2.gz COGLNCPMMMACHM-MLGOLLRUSA-N -1 3 385.342 2.273 40 0 GEABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000016293326 570921550 /nfs/dbraw/zinc/92/15/50/570921550.db2.gz ZUIROESVUAQVLK-HNNXBMFYSA-N -1 3 392.477 2.326 40 0 GEABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(=O)N1CCOCC1 ZINC000016322256 570922465 /nfs/dbraw/zinc/92/24/65/570922465.db2.gz VTRBVCTZBUEOSK-HNNXBMFYSA-N -1 3 390.461 2.114 40 0 GEABHM C[C@@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1C(=O)c1cccc([O-])c1 ZINC000585096347 570923150 /nfs/dbraw/zinc/92/31/50/570923150.db2.gz JPWVBWZECQNUJR-CQSZACIVSA-N -1 3 391.431 2.131 40 0 GEABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016576584 570928427 /nfs/dbraw/zinc/92/84/27/570928427.db2.gz NLQNQOOEVJEISY-CQSZACIVSA-N -1 3 378.450 2.017 40 0 GEABHM Cc1cnn(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019239929 570968635 /nfs/dbraw/zinc/96/86/35/570968635.db2.gz ILBGDISFQIKTLZ-SFHVURJKSA-N -1 3 390.447 2.165 40 0 GEABHM O=C(CCc1ccncc1)N1CC[C@@H](c2nc(-c3ccccn3)cc(=O)[n-]2)C1 ZINC000019402523 570982961 /nfs/dbraw/zinc/98/29/61/570982961.db2.gz JURUORWMSJPKOD-MRXNPFEDSA-N -1 3 375.432 2.176 40 0 GEABHM C[C@H](C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1)c1ccccc1 ZINC000019459196 570988007 /nfs/dbraw/zinc/98/80/07/570988007.db2.gz BLEYJRJYYUUGSF-RDJZCZTQSA-N -1 3 380.492 2.268 40 0 GEABHM COc1ccccc1[C@@H](NC(=O)CC[C@@]1(C)NC(=O)[N-]C1=O)c1ccccc1 ZINC000019460293 570988592 /nfs/dbraw/zinc/98/85/92/570988592.db2.gz PCHDRQRENATBSZ-GHTZIAJQSA-N -1 3 381.432 2.279 40 0 GEABHM CCc1cc(=O)[n-]c([C@H]2CCCN2C(=O)c2cc(OC)c(OC)c(OC)c2)n1 ZINC000019522541 570995418 /nfs/dbraw/zinc/99/54/18/570995418.db2.gz RMZMDEJFHFKNMN-CQSZACIVSA-N -1 3 387.436 2.335 40 0 GEABHM COCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019593088 571019874 /nfs/dbraw/zinc/01/98/74/571019874.db2.gz GTMGGQKUPNWBCT-OAHLLOKOSA-N -1 3 388.512 2.225 40 0 GEABHM C[C@@H](c1cc(=O)[n-]c(NCCc2ccncc2)n1)n1ncc2ccccc2c1=O ZINC000019717500 571039910 /nfs/dbraw/zinc/03/99/10/571039910.db2.gz NOTKXTDNOSGOFU-AWEZNQCLSA-N -1 3 388.431 2.139 40 0 GEABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000408590453 231069851 /nfs/dbraw/zinc/06/98/51/231069851.db2.gz HHQUEIRXMQZRET-OAHLLOKOSA-N -1 3 392.477 2.326 40 0 GEABHM CN(C)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020049192 531579482 /nfs/dbraw/zinc/57/94/82/531579482.db2.gz RBTYFQFPOZHCOJ-UHFFFAOYSA-N -1 3 381.885 2.432 40 0 GEABHM COc1cc(CN2CCc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c3C2)ccc1O ZINC000012185124 204379891 /nfs/dbraw/zinc/37/98/91/204379891.db2.gz NHYBTMMFCDKUGI-CQSZACIVSA-N -1 3 384.480 2.279 40 0 GEABHM Cc1nc(Cc2c(C)nc([C@H]3CCCN3C(=O)C3CC3)nc2C)[n-]c(=O)c1C ZINC000019717397 204676409 /nfs/dbraw/zinc/67/64/09/204676409.db2.gz NITXPBLSUVAFQK-QGZVFWFLSA-N -1 3 381.480 2.458 40 0 GEABHM CCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Br)cc1 ZINC000071980191 205302015 /nfs/dbraw/zinc/30/20/15/205302015.db2.gz CDMQKEDEAZOCBP-AWEZNQCLSA-N -1 3 397.269 2.187 40 0 GEABHM CC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CCCCC3)[n-]c2=O)C1 ZINC000072399107 205344185 /nfs/dbraw/zinc/34/41/85/205344185.db2.gz UUGZTYWGCDKJBZ-GOSISDBHSA-N -1 3 386.496 2.308 40 0 GEABHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223889415 206008369 /nfs/dbraw/zinc/00/83/69/206008369.db2.gz FATWEZFVFHRHOV-LLVKDONJSA-N -1 3 387.454 2.277 40 0 GEABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2c(F)cccc2F)C3)C[C@H](C)O1 ZINC000072347184 136168874 /nfs/dbraw/zinc/16/88/74/136168874.db2.gz LRWUNUWUNBZSSE-STQMWFEESA-N -1 3 390.434 2.220 40 0 GEABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1cccnc1 ZINC000409388240 533964054 /nfs/dbraw/zinc/96/40/54/533964054.db2.gz CPGZOOIUWZTHIP-JTQLQIEISA-N -1 3 388.276 2.372 40 0 GEABHM NC(=O)c1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000019937656 570231820 /nfs/dbraw/zinc/23/18/20/570231820.db2.gz BJXASYDPHUGQFQ-UHFFFAOYSA-N -1 3 382.807 2.370 40 0 GEABHM CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)CC1 ZINC000100232410 570269859 /nfs/dbraw/zinc/26/98/59/570269859.db2.gz XVUUOIARIWWSBI-HRCADAONSA-N -1 3 388.512 2.081 40 0 GEABHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1 ZINC000003237893 570333445 /nfs/dbraw/zinc/33/34/45/570333445.db2.gz XTRYMMPZGTVJKW-UHFFFAOYSA-N -1 3 375.450 2.282 40 0 GEABHM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3sncc3c2)cc1 ZINC000223019494 570437641 /nfs/dbraw/zinc/43/76/41/570437641.db2.gz MVGDDSFTZACKID-UHFFFAOYSA-N -1 3 383.476 2.469 40 0 GEABHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc3sncc3c2)cc1 ZINC000223019494 570437643 /nfs/dbraw/zinc/43/76/43/570437643.db2.gz MVGDDSFTZACKID-UHFFFAOYSA-N -1 3 383.476 2.469 40 0 GEABHM CO[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)C1 ZINC000072397185 570576552 /nfs/dbraw/zinc/57/65/52/570576552.db2.gz NNKLXSVNLCRWPO-HYVNUMGLSA-N -1 3 382.464 2.353 40 0 GEABHM C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1)CC(=O)N2 ZINC000040388992 570599929 /nfs/dbraw/zinc/59/99/29/570599929.db2.gz KTORHEMIPGMQEM-OCCSQVGLSA-N -1 3 381.436 2.213 40 0 GEABHM CC(C)(S[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)[C@@H](N)C(=O)[O-] ZINC000005027205 570657813 /nfs/dbraw/zinc/65/78/13/570657813.db2.gz KSXWTZONWIHVDR-JQWIXIFHSA-N -1 3 390.383 2.261 40 0 GEABHM [O-]C(c1ccccc1)=C1[C@H](c2cccnc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011691794 570797063 /nfs/dbraw/zinc/79/70/63/570797063.db2.gz LKOSKKKYWCAGOJ-WWGRRREGSA-N -1 3 381.379 2.350 40 0 GEABHM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(=O)N1CCOCC1 ZINC000016322254 570922343 /nfs/dbraw/zinc/92/23/43/570922343.db2.gz VTRBVCTZBUEOSK-OAHLLOKOSA-N -1 3 390.461 2.114 40 0 GEABHM Cc1cccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)c1 ZINC000019234689 570965033 /nfs/dbraw/zinc/96/50/33/570965033.db2.gz QXBNYHFMBJQXMZ-QGZVFWFLSA-N -1 3 380.492 2.015 40 0 GEABHM Cc1nc(C(=O)Nc2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc(=O)[n-]1 ZINC000019240930 570969147 /nfs/dbraw/zinc/96/91/47/570969147.db2.gz GGFIODXXTCQQNH-UHFFFAOYSA-N -1 3 382.342 2.186 40 0 GEABHM CC(C)[C@@H](NC(=O)c1cccc(F)c1F)c1cc(=O)[n-]c(N2CCOCC2)n1 ZINC000019445539 570983759 /nfs/dbraw/zinc/98/37/59/570983759.db2.gz UQKLESAKSZRGTE-QGZVFWFLSA-N -1 3 392.406 2.012 40 0 GEABHM CC(C)c1cc(=O)[n-]c([C@@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)n1 ZINC000019452535 570986029 /nfs/dbraw/zinc/98/60/29/570986029.db2.gz FUPZIXZNLRCMJD-KRWDZBQOSA-N -1 3 380.448 2.213 40 0 GEABHM C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cc(=O)[n-]c(N2CCC(C)CC2)n1 ZINC000019497013 570989961 /nfs/dbraw/zinc/98/99/61/570989961.db2.gz LSCLLZLJCUGUBA-CYBMUJFWSA-N -1 3 384.436 2.226 40 0 GEABHM COc1cccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[n-]c3=O)C2)c1 ZINC000019497601 570990489 /nfs/dbraw/zinc/99/04/89/570990489.db2.gz CPIMSNSDRDRTQF-GASCZTMLSA-N -1 3 384.480 2.363 40 0 GEABHM CCC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000019498516 570990992 /nfs/dbraw/zinc/99/09/92/570990992.db2.gz UFHDKHHZTCCOPP-MRXNPFEDSA-N -1 3 396.491 2.475 40 0 GEABHM CCC(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)C(C)C)CC3)n2)C1 ZINC000019498715 570991306 /nfs/dbraw/zinc/99/13/06/570991306.db2.gz IMKWZVSZSGNUFX-MRXNPFEDSA-N -1 3 388.512 2.248 40 0 GEABHM COc1ccc(OC)c(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c1 ZINC000019551629 571001544 /nfs/dbraw/zinc/00/15/44/571001544.db2.gz UXIKRKBLDJESLD-UHFFFAOYSA-N -1 3 378.432 2.407 40 0 GEABHM COc1cccc(OC)c1CN1CCc2nc(-c3ccncc3)[n-]c(=O)c2C1 ZINC000019567104 571008290 /nfs/dbraw/zinc/00/82/90/571008290.db2.gz ZJRNDIXQJVSTGO-UHFFFAOYSA-N -1 3 378.432 2.407 40 0 GEABHM COc1cc(C)c(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)cc1C ZINC000019567377 571008627 /nfs/dbraw/zinc/00/86/27/571008627.db2.gz IGXHJBQRFWSFIY-UHFFFAOYSA-N -1 3 377.448 2.411 40 0 GEABHM COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCCN2C(=O)c2ccccn2)n1 ZINC000019594667 571020473 /nfs/dbraw/zinc/02/04/73/571020473.db2.gz KLYYMNJVZUDUMP-INIZCTEOSA-N -1 3 377.404 2.213 40 0 GEABHM C[C@H](c1cc(=O)[n-]c(NC[C@]2(C)CCCO2)n1)n1ncc2ccccc2c1=O ZINC000019717494 571039960 /nfs/dbraw/zinc/03/99/60/571039960.db2.gz ATPHJPUXJRIZKB-XCLFUZPHSA-N -1 3 381.436 2.070 40 0 GEABHM CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000408610760 529895423 /nfs/dbraw/zinc/89/54/23/529895423.db2.gz VQYRNUKPTMFRQE-GFCCVEGCSA-N -1 3 394.449 2.018 40 0 GEABHM Cc1nc(C)c(CC(=O)Nc2ccc(I)cc2)c(=O)[n-]1 ZINC000019937420 531580799 /nfs/dbraw/zinc/58/07/99/531580799.db2.gz BTGMYVSQCRFLBQ-UHFFFAOYSA-N -1 3 383.189 2.173 40 0 GEABHM COC(=O)c1sc(NC(=S)[N-]C(=O)COc2ccc(OC)cc2)nc1C ZINC000005749355 204149704 /nfs/dbraw/zinc/14/97/04/204149704.db2.gz QAKCDQNCYFEQDF-UHFFFAOYSA-N -1 3 395.462 2.139 40 0 GEABHM COc1ccc(CN2CCc3nc(N4CCC(C)CC4)[n-]c(=O)c3C2)cc1CO ZINC000012145353 204375998 /nfs/dbraw/zinc/37/59/98/204375998.db2.gz JSUIZWNGDDWYQP-UHFFFAOYSA-N -1 3 398.507 2.065 40 0 GEABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c1 ZINC000040390671 205062696 /nfs/dbraw/zinc/06/26/96/205062696.db2.gz YUIKXOIQJAICDY-CYBMUJFWSA-N -1 3 381.436 2.051 40 0 GEABHM O=c1[n-]c(N2CCCC2)nc2c1CCN(Cc1cccn1-c1cccnc1)C2 ZINC000072335552 205327550 /nfs/dbraw/zinc/32/75/50/205327550.db2.gz GGCQTUKRJRFONT-UHFFFAOYSA-N -1 3 376.464 2.114 40 0 GEABHM Cc1ccc2occ(CN3CCc4nc(N5CCCC5)[n-]c(=O)c4C3)c(=O)c2c1 ZINC000072389567 205342030 /nfs/dbraw/zinc/34/20/30/205342030.db2.gz ZBYBNYPIRKTEMO-UHFFFAOYSA-N -1 3 392.459 2.343 40 0 GEABHM COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(C(=O)[O-])cc2)COC1 ZINC000096112740 206117690 /nfs/dbraw/zinc/11/76/90/206117690.db2.gz HNIJEFWUIARYQA-INIZCTEOSA-N -1 3 395.415 2.382 40 0 biogenic,in-vitro GEABHM CCc1noc(C)c1C(=O)NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[n-]c1=O)O2 ZINC000257214617 206161083 /nfs/dbraw/zinc/16/10/83/206161083.db2.gz CMQOVKTUYLBREY-WYRIXSBYSA-N -1 3 388.424 2.356 40 0 GEABHM CC(=O)N1[C@@H](C[N-]S(=O)(=O)c2ccccc2F)C[C@]2(C)[C@H]1CCCC[C@@H]2O ZINC000257268598 206170541 /nfs/dbraw/zinc/17/05/41/206170541.db2.gz MMJQGCWFFACCKJ-DQEVTTJGSA-N -1 3 398.500 2.035 40 0 GEABHM Cc1nc(C)c(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)[n-]1 ZINC000019937527 570231877 /nfs/dbraw/zinc/23/18/77/570231877.db2.gz UVQMMGPQCMBRLD-UHFFFAOYSA-N -1 3 394.397 2.297 40 0 GEABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c1 ZINC000019961206 570233768 /nfs/dbraw/zinc/23/37/68/570233768.db2.gz SPRGSUQOKMVOMB-CQSZACIVSA-N -1 3 381.436 2.051 40 0 GEABHM COc1ccc(CN(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1OC ZINC000023235662 570351609 /nfs/dbraw/zinc/35/16/09/570351609.db2.gz FBFRRZAGZVTSGI-UHFFFAOYSA-N -1 3 378.450 2.348 40 0 GEABHM CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccc(F)cc1)C2 ZINC000019017161 570954519 /nfs/dbraw/zinc/95/45/19/570954519.db2.gz YXDCXFXVNMNWLN-QGZVFWFLSA-N -1 3 384.411 2.203 40 0 GEABHM COc1ccccc1[C@H](NC(=O)CC[C@]1(C)NC(=O)[N-]C1=O)c1ccccc1 ZINC000019460298 570988551 /nfs/dbraw/zinc/98/85/51/570988551.db2.gz PCHDRQRENATBSZ-NQIIRXRSSA-N -1 3 381.432 2.279 40 0 GEABHM COc1ccccc1[C@H](NC(=O)CC[C@@]1(C)NC(=O)[N-]C1=O)c1ccccc1 ZINC000019460295 570988578 /nfs/dbraw/zinc/98/85/78/570988578.db2.gz PCHDRQRENATBSZ-WIYYLYMNSA-N -1 3 381.432 2.279 40 0 GEABHM CC[C@H](C(=O)N1CCC(n2nnc3c2nc(C)[n-]c3=O)CC1)c1ccccc1 ZINC000019500536 570992475 /nfs/dbraw/zinc/99/24/75/570992475.db2.gz RYANXRJDRXTTHY-INIZCTEOSA-N -1 3 380.452 2.180 40 0 GEABHM COc1cc(C(=O)N2CCC[C@@H]2c2nc(C)c(C)c(=O)[n-]2)cc(OC)c1OC ZINC000019555510 571003040 /nfs/dbraw/zinc/00/30/40/571003040.db2.gz AOBZAGBLKCUSOM-CQSZACIVSA-N -1 3 387.436 2.390 40 0 GEABHM COc1cccc(CN2CC[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c1OC ZINC000019567611 571008906 /nfs/dbraw/zinc/00/89/06/571008906.db2.gz OKHKEBXOYUMIMN-OAHLLOKOSA-N -1 3 384.480 2.377 40 0 GEABHM CN(CCc1ccccn1)c1nc(CCn2ncc3c2CCCC3)cc(=O)[n-]1 ZINC000019586271 571015828 /nfs/dbraw/zinc/01/58/28/571015828.db2.gz IDSOJFIYRAWPKA-UHFFFAOYSA-N -1 3 378.480 2.162 40 0 GEABHM COc1cccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)c1 ZINC000019590255 571016895 /nfs/dbraw/zinc/01/68/95/571016895.db2.gz LHYJOTMBGNWFTJ-MRXNPFEDSA-N -1 3 396.491 2.127 40 0 GEABHM C[C@@H](c1cc(=O)[n-]c(NC[C@@]2(C)CCCO2)n1)n1ncc2ccccc2c1=O ZINC000019717491 571040082 /nfs/dbraw/zinc/04/00/82/571040082.db2.gz ATPHJPUXJRIZKB-RNODOKPDSA-N -1 3 381.436 2.070 40 0 GEABHM CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)CC4CCCCC4)C3)[n-]c2=O)C1 ZINC000019019072 207100995 /nfs/dbraw/zinc/10/09/95/207100995.db2.gz CUGZZZDVPTXKLR-MRXNPFEDSA-N -1 3 386.496 2.373 40 0 GEABHM O=C1C[C@H](c2cc(=O)[n-]c(NCc3ccc(F)cc3)n2)CN1Cc1ccccn1 ZINC000019401479 207119706 /nfs/dbraw/zinc/11/97/06/207119706.db2.gz MRQRBOHYYCTSIF-HNNXBMFYSA-N -1 3 393.422 2.432 40 0 GEABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2c(F)cccc2F)C3)C[C@H](C)O1 ZINC000019497574 207124455 /nfs/dbraw/zinc/12/44/55/207124455.db2.gz LRWUNUWUNBZSSE-BETUJISGSA-N -1 3 390.434 2.220 40 0 GEABHM COc1cccc(CN2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[n-]c3=O)C2)c1 ZINC000019497602 207125432 /nfs/dbraw/zinc/12/54/32/207125432.db2.gz CPIMSNSDRDRTQF-GJZGRUSLSA-N -1 3 384.480 2.363 40 0 GEABHM CCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2OC)CC3)C1 ZINC000019498519 207125868 /nfs/dbraw/zinc/12/58/68/207125868.db2.gz LYZVGMXITKCSEW-INIZCTEOSA-N -1 3 396.491 2.475 40 0 GEABHM CCN1CCN(c2nc([C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc(=O)[n-]2)CC1 ZINC000019528240 207130820 /nfs/dbraw/zinc/13/08/20/207130820.db2.gz HUDSZVLWVGPCGK-KRWDZBQOSA-N -1 3 395.507 2.461 40 0 GEABHM CC(C)c1cc(=O)[n-]c([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)c3ccccc32)n1 ZINC000019452521 207121752 /nfs/dbraw/zinc/12/17/52/207121752.db2.gz KSTOQNIGACUVCO-DLBZAZTESA-N -1 3 380.448 2.432 40 0 GEABHM COc1ccc(C=C2N[C@H](c3ccc(NC(=O)c4nc[n-]n4)cc3)OC2=O)cc1 ZINC000019419224 207122352 /nfs/dbraw/zinc/12/23/52/207122352.db2.gz KUYQMHQZHVGARY-XLCPLWEUSA-N -1 3 391.387 2.252 40 0 GEABHM CSCC[C@@H](NC(=O)c1ccccn1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019573997 207138247 /nfs/dbraw/zinc/13/82/47/207138247.db2.gz JQUNCGJIJCSYHT-CQSZACIVSA-N -1 3 381.461 2.451 40 0 GEABHM Cc1nonc1CC(=O)N1CCC[C@H]1c1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000019579287 207138362 /nfs/dbraw/zinc/13/83/62/207138362.db2.gz AJACMFPHPPHDFX-SFHVURJKSA-N -1 3 393.447 2.267 40 0 GEABHM CN1CCc2nc([C@H]3CCCN(C(=O)Cc4ccccc4F)C3)[n-]c(=O)c2C1 ZINC000019590258 207141194 /nfs/dbraw/zinc/14/11/94/207141194.db2.gz ZWSBXLXURQVOKJ-HNNXBMFYSA-N -1 3 384.455 2.258 40 0 GEABHM CCc1cc(C(=O)NCC(C)(C)c2cccc(F)c2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019714561 207152796 /nfs/dbraw/zinc/15/27/96/207152796.db2.gz DVQRYTLCKGNVCZ-UHFFFAOYSA-N -1 3 398.438 2.031 40 0 GEABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1 ZINC000022610162 207258090 /nfs/dbraw/zinc/25/80/90/207258090.db2.gz UIXCERNVYIVKDM-OAHLLOKOSA-N -1 3 395.463 2.379 40 0 GEABHM CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(=O)[n-]c(C)n2)CC1 ZINC000100750154 208380732 /nfs/dbraw/zinc/38/07/32/208380732.db2.gz IPQWIVJHYQKXIS-GQIGUUNPSA-N -1 3 397.479 2.299 40 0 GEABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cc(F)ccc2F)C3)C[C@H](C)O1 ZINC000072347296 136168846 /nfs/dbraw/zinc/16/88/46/136168846.db2.gz OPINKMDPHFRZHM-STQMWFEESA-N -1 3 390.434 2.220 40 0 GEABHM CCOCCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409392629 528683123 /nfs/dbraw/zinc/68/31/23/528683123.db2.gz SIKGUNYQBWVTJT-SNVBAGLBSA-N -1 3 383.297 2.203 40 0 GEABHM O=C1N[C@@H](c2cccc(O)c2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004269826 570364483 /nfs/dbraw/zinc/36/44/83/570364483.db2.gz ARGKQMOEZGOHNI-JKIFEVAISA-N -1 3 380.322 2.496 40 0 GEABHM CCc1cc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)ccc1OC ZINC000223683136 570478867 /nfs/dbraw/zinc/47/88/67/570478867.db2.gz MRDZTPRUEDWWEL-UHFFFAOYSA-N -1 3 398.506 2.454 40 0 GEABHM CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3[n-]cnc1=S ZINC000035939838 570633628 /nfs/dbraw/zinc/63/36/28/570633628.db2.gz AWSQMABCTIUPHJ-UHFFFAOYSA-O -1 3 389.526 2.115 40 0 GEABHM CC(C)(S[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)[C@H](N)C(=O)[O-] ZINC000005027204 570657681 /nfs/dbraw/zinc/65/76/81/570657681.db2.gz KSXWTZONWIHVDR-CMPLNLGQSA-N -1 3 390.383 2.261 40 0 GEABHM CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccccc1OCC ZINC000071980399 570857799 /nfs/dbraw/zinc/85/77/99/570857799.db2.gz NCHKZXWXGONAAM-INIZCTEOSA-N -1 3 376.453 2.213 40 0 GEABHM CCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccccc1Br ZINC000071980202 570857827 /nfs/dbraw/zinc/85/78/27/570857827.db2.gz RULAPGVQDFHTCJ-AWEZNQCLSA-N -1 3 397.269 2.187 40 0 GEABHM CCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccccc1C(F)(F)F ZINC000071980233 570857891 /nfs/dbraw/zinc/85/78/91/570857891.db2.gz MJIZHHHSFDEUBR-CQSZACIVSA-N -1 3 386.370 2.443 40 0 GEABHM CCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000018164912 570922643 /nfs/dbraw/zinc/92/26/43/570922643.db2.gz MULIULNNBQLISR-HNNXBMFYSA-N -1 3 380.452 2.481 40 0 GEABHM C[C@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)c1cccc([O-])c1 ZINC000585098685 570925119 /nfs/dbraw/zinc/92/51/19/570925119.db2.gz XDHZZSCZYDEATO-AWEZNQCLSA-N -1 3 382.464 2.407 40 0 GEABHM CN(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000013613374 531559886 /nfs/dbraw/zinc/55/98/86/531559886.db2.gz YYWFKQCMCINLLJ-UHFFFAOYSA-N -1 3 381.885 2.432 40 0 GEABHM O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[n-]2)C1 ZINC000019293198 207114458 /nfs/dbraw/zinc/11/44/58/207114458.db2.gz HIPIKBAKHZLALV-CQSZACIVSA-N -1 3 394.406 2.235 40 0 GEABHM O=C(CCn1ccnc1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1 ZINC000019344304 207116465 /nfs/dbraw/zinc/11/64/65/207116465.db2.gz AWMZYILXWRKLBB-AWEZNQCLSA-N -1 3 383.477 2.491 40 0 GEABHM CC(C)Oc1ccc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1 ZINC000019450676 207121251 /nfs/dbraw/zinc/12/12/51/207121251.db2.gz YDYALHXIQIKWOR-UHFFFAOYSA-N -1 3 398.507 2.407 40 0 GEABHM Cc1cc(C(=O)N2CC[C@H](c3nc(-c4ccsc4)cc(=O)[n-]3)C2)c(=O)[nH]c1C ZINC000019566724 207136173 /nfs/dbraw/zinc/13/61/73/207136173.db2.gz QKFDMNVLQPXWIX-ZDUSSCGKSA-N -1 3 396.472 2.433 40 0 GEABHM COc1ccccc1CC(=O)N1CC[C@@H](c2cc(=O)[n-]c(-c3ccncc3)n2)C1 ZINC000019569467 207136477 /nfs/dbraw/zinc/13/64/77/207136477.db2.gz AAQRUFVKWDQHII-QGZVFWFLSA-N -1 3 390.443 2.399 40 0 GEABHM CN1CCc2nc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)[n-]c(=O)c2C1 ZINC000019590252 207142680 /nfs/dbraw/zinc/14/26/80/207142680.db2.gz UXXJJNBHACLCJW-HNNXBMFYSA-N -1 3 384.455 2.258 40 0 GEABHM COc1ccc(CN2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[n-]c3=O)C2)cc1 ZINC000072347240 136168784 /nfs/dbraw/zinc/16/87/84/136168784.db2.gz MVHDESBVZHBDGE-GJZGRUSLSA-N -1 3 384.480 2.363 40 0 GEABHM CN1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CCc1ccccc1)CC2 ZINC000072391712 222249883 /nfs/dbraw/zinc/24/98/83/222249883.db2.gz RLJXJXGTGZBCBR-IBGZPJMESA-N -1 3 380.492 2.444 40 0 GEABHM O=c1c2c(ccn1-c1n[nH]c(=S)[n-]1)nc1ncnn1c2-c1ccc(Cl)cc1 ZINC000102336694 570288481 /nfs/dbraw/zinc/28/84/81/570288481.db2.gz SVZQFJRGUKIWEM-UHFFFAOYSA-N -1 3 396.823 2.156 40 0 GEABHM COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C23)cc1 ZINC000104819115 570303559 /nfs/dbraw/zinc/30/35/59/570303559.db2.gz UBEZAJYKENQLEO-RHSMWYFYSA-N -1 3 384.775 2.476 40 0 GEABHM COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C23)cc1 ZINC000104819123 570303566 /nfs/dbraw/zinc/30/35/66/570303566.db2.gz UBEZAJYKENQLEO-WMLDXEAASA-N -1 3 384.775 2.476 40 0 GEABHM COCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1C ZINC000408627436 570379653 /nfs/dbraw/zinc/37/96/53/570379653.db2.gz ZPJACWOBWMRLIN-UHFFFAOYSA-N -1 3 384.404 2.450 40 0 GEABHM CCCn1nnc(NC(=S)[N-]C(=O)COc2cc(C)ccc2C(C)C)n1 ZINC000006593861 570484537 /nfs/dbraw/zinc/48/45/37/570484537.db2.gz XKPIGKQTJFXOIO-UHFFFAOYSA-N -1 3 376.486 2.407 40 0 GEABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1N1C(=O)CCC1=O ZINC000223863124 570487533 /nfs/dbraw/zinc/48/75/33/570487533.db2.gz FNIVTKRVBAVNKF-UHFFFAOYSA-N -1 3 378.381 2.289 40 0 GEABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)ccc1OC ZINC000224918588 570538170 /nfs/dbraw/zinc/53/81/70/570538170.db2.gz HWBPLMIGZHTGPG-UHFFFAOYSA-N -1 3 389.477 2.456 40 0 GEABHM CO[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](c3nc(-c4ccccn4)cc(=O)[n-]3)C2)C1 ZINC000072397181 570576358 /nfs/dbraw/zinc/57/63/58/570576358.db2.gz LHWWLDHQYGRPTP-OWCLPIDISA-N -1 3 382.464 2.353 40 0 GEABHM CN(C)c1ccc(C(=O)N2CCC(Nc3nc4c(c(=O)[n-]3)CCCC4)CC2)cc1 ZINC000012113693 570609471 /nfs/dbraw/zinc/60/94/71/570609471.db2.gz GGLYIOUNLKGMAJ-UHFFFAOYSA-N -1 3 395.507 2.431 40 0 GEABHM O=C(COc1cccnc1)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012256440 570630943 /nfs/dbraw/zinc/63/09/43/570630943.db2.gz CJJODWZRQLMQBL-UHFFFAOYSA-N -1 3 391.431 2.424 40 0 GEABHM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2C)c1 ZINC000013672582 570770832 /nfs/dbraw/zinc/77/08/32/570770832.db2.gz CTSKGSLZEDGZRR-UHFFFAOYSA-N -1 3 375.494 2.396 40 0 GEABHM CC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000013565529 570850025 /nfs/dbraw/zinc/85/00/25/570850025.db2.gz SRWPNBOKUVCVEV-UHFFFAOYSA-N -1 3 386.843 2.355 40 0 GEABHM C[C@@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)c1cccc([O-])c1 ZINC000585097979 570922223 /nfs/dbraw/zinc/92/22/23/570922223.db2.gz QBCDFPKMWFVRBJ-CQSZACIVSA-N -1 3 394.431 2.258 40 0 GEABHM COc1ccc2c(c1)O[C@](OC)(c1ccc(OC)c(OC)c1)[C@@]([O-])(OC)C2=O ZINC000001674566 206388177 /nfs/dbraw/zinc/38/81/77/206388177.db2.gz PLONMEOULHBJFT-VQTJNVASSA-N -1 3 390.388 2.122 40 0 GEABHM Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)on1 ZINC000019119904 207103024 /nfs/dbraw/zinc/10/30/24/207103024.db2.gz RBTCMUYUTILMRH-MRXNPFEDSA-N -1 3 385.468 2.200 40 0 GEABHM Cc1cccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)c1 ZINC000019234690 207108540 /nfs/dbraw/zinc/10/85/40/207108540.db2.gz QXBNYHFMBJQXMZ-KRWDZBQOSA-N -1 3 380.492 2.015 40 0 GEABHM O=C(C1CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339289 207116440 /nfs/dbraw/zinc/11/64/40/207116440.db2.gz OYQDZVKNUGPGJB-LJQANCHMSA-N -1 3 393.491 2.187 40 0 GEABHM CCC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2OC)CC3)C1 ZINC000019498518 207124677 /nfs/dbraw/zinc/12/46/77/207124677.db2.gz LYZVGMXITKCSEW-MRXNPFEDSA-N -1 3 396.491 2.475 40 0 GEABHM CCc1c(C)nc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)[n-]c1=O ZINC000019521595 207126937 /nfs/dbraw/zinc/12/69/37/207126937.db2.gz QPPHYTKIEWUDEH-QGZVFWFLSA-N -1 3 382.464 2.185 40 0 GEABHM COc1ncc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)cn1 ZINC000019572004 207137894 /nfs/dbraw/zinc/13/78/94/207137894.db2.gz NTTMQOZUVSJMBR-UHFFFAOYSA-N -1 3 397.460 2.317 40 0 GEABHM COc1ncc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)cn1 ZINC000019572009 207138524 /nfs/dbraw/zinc/13/85/24/207138524.db2.gz CXEBUJRWEPCBJF-LBPRGKRZSA-N -1 3 397.460 2.317 40 0 GEABHM COc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019554061 207132055 /nfs/dbraw/zinc/13/20/55/207132055.db2.gz IVKCXQSDHSHKAD-QGZVFWFLSA-N -1 3 390.443 2.399 40 0 GEABHM CN1CCc2nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)[n-]c(=O)c2C1 ZINC000019590251 207142093 /nfs/dbraw/zinc/14/20/93/207142093.db2.gz UXXJJNBHACLCJW-OAHLLOKOSA-N -1 3 384.455 2.258 40 0 GEABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccccc1)C3 ZINC000019821100 207164364 /nfs/dbraw/zinc/16/43/64/207164364.db2.gz IOPQISOPQJBNNP-CQSZACIVSA-N -1 3 379.416 2.034 40 0 GEABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1C ZINC000022609947 207257790 /nfs/dbraw/zinc/25/77/90/207257790.db2.gz XSUXJKYQHAJHMN-OAHLLOKOSA-N -1 3 395.463 2.442 40 0 GEABHM CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000257200137 209054592 /nfs/dbraw/zinc/05/45/92/209054592.db2.gz ACDSVFONQDGMOU-OAQYLSRUSA-N -1 3 387.455 2.416 40 0 GEABHM CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000257245106 209059571 /nfs/dbraw/zinc/05/95/71/209059571.db2.gz IOBYRHAIHSDFLH-NRFANRHFSA-N -1 3 387.455 2.416 40 0 GEABHM O=C(Cc1cccc(O)c1)NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[n-]c1=O)O2 ZINC000257295672 209070296 /nfs/dbraw/zinc/07/02/96/209070296.db2.gz QZJWZTYYSSYRKU-VLIAUNLRSA-N -1 3 385.420 2.131 40 0 GEABHM CC(=O)Oc1ccc(CN2CCc3c(nc(N4CCCCC4)[n-]c3=O)C2)cc1 ZINC000072347216 136168708 /nfs/dbraw/zinc/16/87/08/136168708.db2.gz JWDIHYKZCUPGNI-UHFFFAOYSA-N -1 3 382.464 2.244 40 0 GEABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1 ZINC000223052582 136205521 /nfs/dbraw/zinc/20/55/21/136205521.db2.gz OYNZPDILPAXLGT-UKRRQHHQSA-N -1 3 395.463 2.379 40 0 GEABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1C ZINC000006023980 570345522 /nfs/dbraw/zinc/34/55/22/570345522.db2.gz CNRXAWRVFWBQFD-UHFFFAOYSA-N -1 3 395.433 2.365 40 0 GEABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1 ZINC000223305298 570457253 /nfs/dbraw/zinc/45/72/53/570457253.db2.gz OXSAOCDJBDMOQV-UHFFFAOYSA-N -1 3 378.450 2.353 40 0 GEABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccccc3)n2)c(OC)c1 ZINC000223760009 570483560 /nfs/dbraw/zinc/48/35/60/570483560.db2.gz FXNMBVSMCZPTPN-UHFFFAOYSA-N -1 3 375.406 2.232 40 0 GEABHM COc1ccc(NC(=O)[C@](C)([N-]S(C)(=O)=O)c2ccc(F)cc2)c(OC)c1 ZINC000225958641 570636813 /nfs/dbraw/zinc/63/68/13/570636813.db2.gz GDGTWMBPVMHAMA-GOSISDBHSA-N -1 3 396.440 2.246 40 0 GEABHM Cc1c(C(=O)N2CC[C@H](c3cc(=O)[n-]c(N(C)C)n3)C2)[nH]c2c1C(=O)CCC2 ZINC000012367445 570647296 /nfs/dbraw/zinc/64/72/96/570647296.db2.gz YHZCRNNGOJDYHF-LBPRGKRZSA-N -1 3 383.452 2.033 40 0 GEABHM COc1ccc(CN2CCC[C@H](Cn3nnc4c3nc(C)[n-]c4=O)C2)c(OC)c1 ZINC000012471195 570672879 /nfs/dbraw/zinc/67/28/79/570672879.db2.gz UEOCNIXSLZMNGI-AWEZNQCLSA-N -1 3 398.467 2.165 40 0 GEABHM COC(=O)c1ccccc1NC(=O)[C@@H](CC(=O)[O-])N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000102810078 570721121 /nfs/dbraw/zinc/72/11/21/570721121.db2.gz DUUDWMCVSQHQFB-XYPHTWIQSA-N -1 3 392.452 2.048 40 0 GEABHM O=C(NCCc1cccs1)[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21 ZINC000585096193 570922517 /nfs/dbraw/zinc/92/25/17/570922517.db2.gz XSKWUZUKLFJWEC-GOSISDBHSA-N -1 3 396.472 2.206 40 0 GEABHM C[C@@H]1c2nc(C(=O)NCc3cccnc3)cn2CCN1C(=O)c1cccc([O-])c1 ZINC000585096403 570923215 /nfs/dbraw/zinc/92/32/15/570923215.db2.gz MEKWMJLDQAZQJL-CQSZACIVSA-N -1 3 391.431 2.131 40 0 GEABHM C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)c1cccc([O-])c1 ZINC000585096535 570923539 /nfs/dbraw/zinc/92/35/39/570923539.db2.gz RUWRLWHNCIZERD-ZDUSSCGKSA-N -1 3 380.404 2.329 40 0 GEABHM CC(C)(S[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)[C@H](N)C(=O)[O-] ZINC000019927529 570932107 /nfs/dbraw/zinc/93/21/07/570932107.db2.gz KSXWTZONWIHVDR-ZYHUDNBSSA-N -1 3 390.383 2.261 40 0 GEABHM CCOc1cc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)cc(Cl)c1[O-] ZINC000006958711 531535026 /nfs/dbraw/zinc/53/50/26/531535026.db2.gz CLVMCVSGWBBBDC-WDZFZDKYSA-N -1 3 384.841 2.017 40 0 GEABHM CC(=O)N1CCc2c(nc([C@H]3CCN(C(=O)CC4CCCCC4)C3)[n-]c2=O)C1 ZINC000019019075 207101449 /nfs/dbraw/zinc/10/14/49/207101449.db2.gz CUGZZZDVPTXKLR-INIZCTEOSA-N -1 3 386.496 2.373 40 0 GEABHM CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)c4ccc(C)cc4)C3)[n-]c2=O)C1 ZINC000019135140 207103716 /nfs/dbraw/zinc/10/37/16/207103716.db2.gz MLGFVOSNQBCNGW-MRXNPFEDSA-N -1 3 380.448 2.025 40 0 GEABHM CCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(OC)cc2)C3)C1 ZINC000019498511 207125075 /nfs/dbraw/zinc/12/50/75/207125075.db2.gz FLXCOAJBAWBDRC-INIZCTEOSA-N -1 3 396.491 2.475 40 0 GEABHM CC(C)N1CCc2nc3cc([C@H]4CCCN(C(=O)C5CC5)C4)[n-]n3c(=O)c2C1 ZINC000019448067 207121373 /nfs/dbraw/zinc/12/13/73/207121373.db2.gz HXRGLOHRGXJZRT-HNNXBMFYSA-N -1 3 383.496 2.317 40 0 GEABHM COc1ccccc1CC(=O)N1CC[C@H](c2cc(=O)[n-]c(-c3ccncc3)n2)C1 ZINC000019569470 207136525 /nfs/dbraw/zinc/13/65/25/207136525.db2.gz AAQRUFVKWDQHII-KRWDZBQOSA-N -1 3 390.443 2.399 40 0 GEABHM Cc1c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cnn1C ZINC000019553416 207132192 /nfs/dbraw/zinc/13/21/92/207132192.db2.gz OHNGVGDFURIPJZ-SFHVURJKSA-N -1 3 390.447 2.315 40 0 GEABHM Cc1nn(CC(=O)N2CCC[C@H]2c2nc(-c3cccnc3)cc(=O)[n-]2)c(C)c1C ZINC000019556465 207133287 /nfs/dbraw/zinc/13/32/87/207133287.db2.gz WUHSRZJHVJWKRK-SFHVURJKSA-N -1 3 392.463 2.317 40 0 GEABHM CCc1cc(C(=O)NCC(C)(C)c2ccc(F)cc2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019714562 207151532 /nfs/dbraw/zinc/15/15/32/207151532.db2.gz CYVGLSMVFDQFFD-UHFFFAOYSA-N -1 3 398.438 2.031 40 0 GEABHM COc1c(F)c(F)c(C(=O)NC(=S)Nc2ncccc2[O-])c(F)c1F ZINC000408627094 533427423 /nfs/dbraw/zinc/42/74/23/533427423.db2.gz JYYQULUSYNVKSE-UHFFFAOYSA-N -1 3 375.303 2.479 40 0 GEABHM COc1ccc(CN2CCc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c3C2)cc1CO ZINC000072389578 136169261 /nfs/dbraw/zinc/16/92/61/136169261.db2.gz VGQMWZHNBVIZPJ-OAHLLOKOSA-N -1 3 398.507 2.065 40 0 GEABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223053717 136205609 /nfs/dbraw/zinc/20/56/09/136205609.db2.gz BMTCFXFLDAOMAU-HIFRSBDPSA-N -1 3 395.463 2.379 40 0 GEABHM CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000257306980 209073197 /nfs/dbraw/zinc/07/31/97/209073197.db2.gz SWUDMLRFFTYQJO-INIZCTEOSA-N -1 3 393.447 2.119 40 0 GEABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC)cc2)cc1 ZINC000408600421 528555503 /nfs/dbraw/zinc/55/55/03/528555503.db2.gz AXPDNHKTGYACGA-CYBMUJFWSA-N -1 3 378.450 2.399 40 0 GEABHM Cc1cc(C)cc(COCCOCn2c(C)c(Br)c(=O)[n-]c2=O)c1 ZINC000004697981 570394303 /nfs/dbraw/zinc/39/43/03/570394303.db2.gz FWKQEGDWWKKDRT-UHFFFAOYSA-N -1 3 397.269 2.415 40 0 GEABHM Cc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCCC3)c2=O)cc1Cl ZINC000222668168 570419539 /nfs/dbraw/zinc/41/95/39/570419539.db2.gz QWEAXSMDNKXBCM-UHFFFAOYSA-N -1 3 377.828 2.172 40 0 GEABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1N1C(=O)CCC1=O ZINC000223364025 570461764 /nfs/dbraw/zinc/46/17/64/570461764.db2.gz BSZTZXWGTGQHDQ-UHFFFAOYSA-N -1 3 396.371 2.428 40 0 GEABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000011609387 570576600 /nfs/dbraw/zinc/57/66/00/570576600.db2.gz BQCOPTVIOLPJOW-UHFFFAOYSA-N -1 3 375.450 2.147 40 0 GEABHM O=C(C1CC1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000005769297 570664726 /nfs/dbraw/zinc/66/47/26/570664726.db2.gz SIWHMFKOBGUOAF-OAHLLOKOSA-N -1 3 378.436 2.091 40 0 GEABHM C[C@H]1c2nc(C(=O)NCc3cccnc3)cn2CCN1C(=O)c1cccc([O-])c1 ZINC000585096402 570923085 /nfs/dbraw/zinc/92/30/85/570923085.db2.gz MEKWMJLDQAZQJL-AWEZNQCLSA-N -1 3 391.431 2.131 40 0 GEABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCc1ccccc1 ZINC000408605375 231077712 /nfs/dbraw/zinc/07/77/12/231077712.db2.gz JYJSANDGOKTOBR-GFCCVEGCSA-N -1 3 382.869 2.332 40 0 GEABHM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000016293346 207074101 /nfs/dbraw/zinc/07/41/01/207074101.db2.gz MRYOGIBEPZEUKK-UHFFFAOYSA-N -1 3 392.477 2.327 40 0 GEABHM CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(F)cc1)CC2 ZINC000019017170 207099582 /nfs/dbraw/zinc/09/95/82/207099582.db2.gz OLCIETJRZSMMPX-KRWDZBQOSA-N -1 3 384.411 2.203 40 0 GEABHM Cc1ccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)cc1 ZINC000019209475 207106406 /nfs/dbraw/zinc/10/64/06/207106406.db2.gz QYGYWBXQLOJJMH-KRWDZBQOSA-N -1 3 380.492 2.015 40 0 GEABHM Cn1cnc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(C3CCC3)n2)c2ccccc2)c1 ZINC000019290788 207112749 /nfs/dbraw/zinc/11/27/49/207112749.db2.gz PXCGUSWPGZHZHT-KRWDZBQOSA-N -1 3 377.448 2.485 40 0 GEABHM Cc1nnsc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C)n1 ZINC000019563585 207134017 /nfs/dbraw/zinc/13/40/17/207134017.db2.gz SJLBRXZQCBXKCS-OAHLLOKOSA-N -1 3 394.460 2.433 40 0 GEABHM Cc1nonc1CC(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019558952 207134131 /nfs/dbraw/zinc/13/41/31/207134131.db2.gz ZSFBQXKFXBSNTR-UHFFFAOYSA-N -1 3 385.449 2.139 40 0 GEABHM Cc1cc(C)n(CCC(=O)N2CCC[C@H]2c2nc(-c3cccnc3)cc(=O)[n-]2)n1 ZINC000019573878 207138464 /nfs/dbraw/zinc/13/84/64/207138464.db2.gz FHBIVLWXJKKIOR-SFHVURJKSA-N -1 3 392.463 2.399 40 0 GEABHM S=c1[n-]c(-c2cncc(N3CCCCCC3)n2)nn1CN1CCOCC1 ZINC000020528690 207200806 /nfs/dbraw/zinc/20/08/06/207200806.db2.gz FNCYHUBFUKTLIV-UHFFFAOYSA-N -1 3 375.502 2.068 40 0 GEABHM CC(C)(C)C(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000016322689 208149726 /nfs/dbraw/zinc/14/97/26/208149726.db2.gz AFHBOAAQZXDWSZ-UHFFFAOYSA-N -1 3 382.265 2.430 40 0 GEABHM NC(=O)CN1CCC(c2ccnc([N-]c3ncccc3C(F)(F)F)n2)CC1 ZINC000257302316 209070135 /nfs/dbraw/zinc/07/01/35/209070135.db2.gz SCMBNSIULDWLFP-UHFFFAOYSA-N -1 3 380.374 2.299 40 0 GEABHM O=C1CC[C@H](/C=C/[C@@H](O)Cc2ccccc2)N1CCCCCCc1nnn[n-]1 ZINC000013488403 560217626 /nfs/dbraw/zinc/21/76/26/560217626.db2.gz JWYPJSNXPZTEHL-VJKINUSGSA-N -1 3 383.496 2.453 40 0 in-vitro GEABHM O=C1CC[C@H](/C=C/[C@@H](O)Cc2ccccc2)N1CCCCCCc1nn[n-]n1 ZINC000013488403 560217627 /nfs/dbraw/zinc/21/76/27/560217627.db2.gz JWYPJSNXPZTEHL-VJKINUSGSA-N -1 3 383.496 2.453 40 0 in-vitro GEABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC(=O)Nc3ccccc32)c(Cl)c1 ZINC000216474189 570302605 /nfs/dbraw/zinc/30/26/05/570302605.db2.gz MCSBYABDGVJOLT-UHFFFAOYSA-N -1 3 379.825 2.310 40 0 GEABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCCCO ZINC000006527981 570372116 /nfs/dbraw/zinc/37/21/16/570372116.db2.gz MSWDPAMUOBYCOT-UHFFFAOYSA-N -1 3 398.868 2.018 40 0 GEABHM COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C23)cc1 ZINC000005513536 570443523 /nfs/dbraw/zinc/44/35/23/570443523.db2.gz UBEZAJYKENQLEO-YOEHRIQHSA-N -1 3 384.775 2.476 40 0 GEABHM COCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224056460 570496802 /nfs/dbraw/zinc/49/68/02/570496802.db2.gz KAHDBUFZYYYQAA-UHFFFAOYSA-N -1 3 378.450 2.181 40 0 GEABHM Cn1c2ccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)cc2sc1=O ZINC000225035918 570544569 /nfs/dbraw/zinc/54/45/69/570544569.db2.gz BPMVSAUNPPKYKL-UHFFFAOYSA-N -1 3 377.447 2.224 40 0 GEABHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)c(Cl)c1 ZINC000225265759 570560304 /nfs/dbraw/zinc/56/03/04/570560304.db2.gz MFQVMTGMGIPEDO-GFCCVEGCSA-N -1 3 396.852 2.281 40 0 GEABHM O=C([O-])C1CCN(Cc2c(-c3ccc4c(c3)OCO4)nc3ncccn23)CC1 ZINC000012356979 570645729 /nfs/dbraw/zinc/64/57/29/570645729.db2.gz UWLWIBOFGVSEOV-UHFFFAOYSA-N -1 3 380.404 2.422 40 0 GEABHM CCOC(=O)C(=O)[N-]c1sc(C(=O)NC2CCCCC2)c(C)c1C(=O)OC ZINC000006544827 570671402 /nfs/dbraw/zinc/67/14/02/570671402.db2.gz ZIQWICPLSXOVOX-UHFFFAOYSA-N -1 3 396.465 2.407 40 0 GEABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1 ZINC000040388770 570742921 /nfs/dbraw/zinc/74/29/21/570742921.db2.gz OYNZPDILPAXLGT-DZGCQCFKSA-N -1 3 395.463 2.379 40 0 GEABHM CC1(C)OC(=O)C[C@H]1C(=O)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257227695 570764080 /nfs/dbraw/zinc/76/40/80/570764080.db2.gz FQMLQXYVKYHXEJ-AWEZNQCLSA-N -1 3 396.451 2.058 40 0 GEABHM CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(=O)[n-]c(C)n2)CC1 ZINC000257245469 570893645 /nfs/dbraw/zinc/89/36/45/570893645.db2.gz IPQWIVJHYQKXIS-FTRWYGJKSA-N -1 3 397.479 2.299 40 0 GEABHM CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000408610761 529917965 /nfs/dbraw/zinc/91/79/65/529917965.db2.gz VQYRNUKPTMFRQE-LBPRGKRZSA-N -1 3 394.449 2.018 40 0 GEABHM CCCn1nnc(NC(=S)[N-]C(=O)COc2ccc(Cl)cc2Cl)n1 ZINC000006593868 531529639 /nfs/dbraw/zinc/52/96/39/531529639.db2.gz SKGXROSSMMOSEA-UHFFFAOYSA-N -1 3 389.268 2.282 40 0 GEABHM CCOC(=O)c1cnc(SCC(=O)Nc2ccc(Cl)cc2[O-])nc1N ZINC000409391907 532722141 /nfs/dbraw/zinc/72/21/41/532722141.db2.gz PDTLHFLRASRWJX-UHFFFAOYSA-N -1 3 382.829 2.325 40 0 GEABHM Cc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)on1 ZINC000019119901 207102963 /nfs/dbraw/zinc/10/29/63/207102963.db2.gz RBTCMUYUTILMRH-INIZCTEOSA-N -1 3 385.468 2.200 40 0 GEABHM CC(=O)N1CCc2c(nc([C@H]3CCN(C(=O)c4ccc(C)cc4)C3)[n-]c2=O)C1 ZINC000019135144 207103767 /nfs/dbraw/zinc/10/37/67/207103767.db2.gz MLGFVOSNQBCNGW-INIZCTEOSA-N -1 3 380.448 2.025 40 0 GEABHM O=C(C1CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339285 207116842 /nfs/dbraw/zinc/11/68/42/207116842.db2.gz OYQDZVKNUGPGJB-IBGZPJMESA-N -1 3 393.491 2.187 40 0 GEABHM COc1cccc(CC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)c1 ZINC000019564058 207134122 /nfs/dbraw/zinc/13/41/22/207134122.db2.gz SVWZMAMMQLFXTI-KRWDZBQOSA-N -1 3 390.443 2.399 40 0 GEABHM Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)s1 ZINC000019560057 207134334 /nfs/dbraw/zinc/13/43/34/207134334.db2.gz PDWGJHVBBYLWDA-CYBMUJFWSA-N -1 3 387.509 2.263 40 0 GEABHM COc1ccc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)cc1OC ZINC000019561134 207135006 /nfs/dbraw/zinc/13/50/06/207135006.db2.gz CCGAUMGQSYJPED-UHFFFAOYSA-N -1 3 378.432 2.407 40 0 GEABHM C[C@H](c1cc(=O)[n-]c(NCCc2ccccn2)n1)n1ncc2ccccc2c1=O ZINC000019717452 207153844 /nfs/dbraw/zinc/15/38/44/207153844.db2.gz HXNPVAGWGKLFRD-CQSZACIVSA-N -1 3 388.431 2.139 40 0 GEABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1Cl ZINC000020036942 207174600 /nfs/dbraw/zinc/17/46/00/207174600.db2.gz YCYMMLGDZUSMOV-UHFFFAOYSA-N -1 3 382.825 2.370 40 0 GEABHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1 ZINC000028196372 207334340 /nfs/dbraw/zinc/33/43/40/207334340.db2.gz PRWZQGLZNRROCJ-UHFFFAOYSA-N -1 3 390.461 2.419 40 0 GEABHM COc1ccc(NC(=O)[C@@](C)([N-]S(C)(=O)=O)c2ccc(F)cc2)cc1OC ZINC000225958665 208985638 /nfs/dbraw/zinc/98/56/38/208985638.db2.gz JTBVQMAMEOUAIG-SFHVURJKSA-N -1 3 396.440 2.246 40 0 GEABHM Cc1ncc2c(n1)[C@]1(CCN(Cc3cn(CC(=O)[O-])c4ccccc34)C1)COC2 ZINC000247983348 209030766 /nfs/dbraw/zinc/03/07/66/209030766.db2.gz YCRLOHRKVMBTHS-QFIPXVFZSA-N -1 3 392.459 2.498 40 0 GEABHM NCC(=O)N1CCC(c2ccnc([N-]c3ncccc3C(F)(F)F)n2)CC1 ZINC000257246502 209059703 /nfs/dbraw/zinc/05/97/03/209059703.db2.gz IUJCNEJXFZXDFP-UHFFFAOYSA-N -1 3 380.374 2.299 40 0 GEABHM CC(C)CCn1c2n[n-]c(=O)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000013363167 221266590 /nfs/dbraw/zinc/26/65/90/221266590.db2.gz HOWGBDXOIJQFDB-UHFFFAOYSA-N -1 3 383.452 2.056 40 0 GEABHM CC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C[C@@H](CO)C1 ZINC000257292781 209069413 /nfs/dbraw/zinc/06/94/13/209069413.db2.gz QMYGJONTDLYMNE-GOSISDBHSA-N -1 3 382.460 2.324 40 0 GEABHM CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000012481650 136200310 /nfs/dbraw/zinc/20/03/10/136200310.db2.gz UVDQTGYCTUCDMH-ROUUACIJSA-N -1 3 391.487 2.297 40 0 biogenic,in-vitro GEABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1 ZINC000223052641 136205507 /nfs/dbraw/zinc/20/55/07/136205507.db2.gz OYNZPDILPAXLGT-HIFRSBDPSA-N -1 3 395.463 2.379 40 0 GEABHM CC(C)(C)c1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)c1 ZINC000257331459 209076382 /nfs/dbraw/zinc/07/63/82/209076382.db2.gz XSXRZLXQFLMSQE-QWFCFKBJSA-N -1 3 390.524 2.424 40 0 GEABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(N)=O)c(Cl)c2)cc1 ZINC000408623688 528555058 /nfs/dbraw/zinc/55/50/58/528555058.db2.gz PJTGBRAQBVZQDA-UHFFFAOYSA-N -1 3 384.841 2.404 40 0 GEABHM COC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000005500397 570443166 /nfs/dbraw/zinc/44/31/66/570443166.db2.gz JAPISWCCMIZCQS-NSHDSACASA-N -1 3 381.310 2.086 40 0 GEABHM COC(=O)c1ccc(CS(=O)(=O)[N-]Cc2nc(-c3ccccc3)no2)cc1 ZINC000223657203 570477097 /nfs/dbraw/zinc/47/70/97/570477097.db2.gz YAJOPHXJIRWWNH-UHFFFAOYSA-N -1 3 387.417 2.143 40 0 GEABHM O=C(NCc1cccs1)[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21 ZINC000575404359 570520433 /nfs/dbraw/zinc/52/04/33/570520433.db2.gz NDAJYYAOYVGGSR-QGZVFWFLSA-N -1 3 382.445 2.164 40 0 GEABHM Cc1nc2c(nnn2C2CCN(C(=O)CCC(=O)c3ccccc3)CC2)c(=O)[n-]1 ZINC000012133648 570613972 /nfs/dbraw/zinc/61/39/72/570613972.db2.gz UMJTUWOYPPZVHG-UHFFFAOYSA-N -1 3 394.435 2.062 40 0 GEABHM CC1(C)OC(=O)C[C@@H]1C(=O)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257227696 570764135 /nfs/dbraw/zinc/76/41/35/570764135.db2.gz FQMLQXYVKYHXEJ-CQSZACIVSA-N -1 3 396.451 2.058 40 0 GEABHM Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]c(=O)c1CC(C)C ZINC000008020079 570765034 /nfs/dbraw/zinc/76/50/34/570765034.db2.gz SDKVGUGAZUFBTR-UHFFFAOYSA-N -1 3 384.480 2.328 40 0 GEABHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)c(C)s2)no1 ZINC000006680217 531529568 /nfs/dbraw/zinc/52/95/68/531529568.db2.gz BVPOTGWUZVSEPA-NSHDSACASA-N -1 3 385.467 2.063 40 0 GEABHM COc1ccc2c(c1)O[C@@](OC)(c1ccc(OC)c(OC)c1)[C@]([O-])(OC)C2=O ZINC000001674563 206389116 /nfs/dbraw/zinc/38/91/16/206389116.db2.gz PLONMEOULHBJFT-UXHICEINSA-N -1 3 390.388 2.122 40 0 GEABHM CCc1onc(C)c1C(=O)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000019521087 207127623 /nfs/dbraw/zinc/12/76/23/207127623.db2.gz QPCCJOFZNZFMHZ-AWEZNQCLSA-N -1 3 379.420 2.320 40 0 GEABHM C[C@@H](CC(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1)n1cncn1 ZINC000019455232 207122938 /nfs/dbraw/zinc/12/29/38/207122938.db2.gz OJQRHENIORAQKL-KBPBESRZSA-N -1 3 398.492 2.447 40 0 GEABHM COc1ncc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)cn1 ZINC000019572007 207138400 /nfs/dbraw/zinc/13/84/00/207138400.db2.gz CXEBUJRWEPCBJF-GFCCVEGCSA-N -1 3 397.460 2.317 40 0 GEABHM COCC(=O)N[C@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000019592986 207144013 /nfs/dbraw/zinc/14/40/13/207144013.db2.gz AYNZRLPPVVYGKE-QGZVFWFLSA-N -1 3 382.395 2.017 40 0 GEABHM Cc1cc(C(=O)NCC2(c3ccccc3Cl)CC2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019716365 207154324 /nfs/dbraw/zinc/15/43/24/207154324.db2.gz MCTBTICJKGGTKF-UHFFFAOYSA-N -1 3 398.850 2.045 40 0 GEABHM CCNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009302 207172486 /nfs/dbraw/zinc/17/24/86/207172486.db2.gz PLWDZKRXAYHTGL-OAHLLOKOSA-N -1 3 396.896 2.374 40 0 GEABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3)n2)cc1OC ZINC000223624290 208906762 /nfs/dbraw/zinc/90/67/62/208906762.db2.gz HVDIASUMBNGVLX-UHFFFAOYSA-N -1 3 389.433 2.373 40 0 GEABHM CCCc1cc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c([nH]c(=O)[n-]c2=O)O3)on1 ZINC000257273564 209063499 /nfs/dbraw/zinc/06/34/99/209063499.db2.gz NHDRBMBDBNYTEX-BLVKFPJESA-N -1 3 388.424 2.437 40 0 GEABHM COc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[n-]c3=O)C2)cc1 ZINC000072347241 136168727 /nfs/dbraw/zinc/16/87/27/136168727.db2.gz MVHDESBVZHBDGE-HUUCEWRRSA-N -1 3 384.480 2.363 40 0 GEABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223053657 136205583 /nfs/dbraw/zinc/20/55/83/136205583.db2.gz BMTCFXFLDAOMAU-UKRRQHHQSA-N -1 3 395.463 2.379 40 0 GEABHM CC(C)c1ncc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c([nH]c(=O)[n-]c2=O)O3)cn1 ZINC000257328862 209076348 /nfs/dbraw/zinc/07/63/48/209076348.db2.gz XHKBNEGTWKKJKH-XCLFUZPHSA-N -1 3 399.451 2.410 40 0 GEABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c(C)c1 ZINC000020800194 570281349 /nfs/dbraw/zinc/28/13/49/570281349.db2.gz BZCMZRCHAPCXJZ-CQSZACIVSA-N -1 3 395.463 2.442 40 0 GEABHM CCOc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000223285369 570456231 /nfs/dbraw/zinc/45/62/31/570456231.db2.gz NQXSNOYGFMPISH-UHFFFAOYSA-N -1 3 398.510 2.400 40 0 GEABHM C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1)CC(=O)N2 ZINC000040388994 570599751 /nfs/dbraw/zinc/59/97/51/570599751.db2.gz KTORHEMIPGMQEM-JSGCOSHPSA-N -1 3 381.436 2.213 40 0 GEABHM COc1ccc2nc(CN3CCc4c(=O)[n-]c(N5CCCC5)nc4C3)ccc2c1 ZINC000012117799 570612026 /nfs/dbraw/zinc/61/20/26/570612026.db2.gz NKIDZLAKHHSVIC-UHFFFAOYSA-N -1 3 391.475 2.485 40 0 GEABHM C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)[N-]C2=NCCS2)n1C ZINC000004998959 570651077 /nfs/dbraw/zinc/65/10/77/570651077.db2.gz FBMQMXLEEHXCDW-LLVKDONJSA-N -1 3 377.495 2.266 40 0 GEABHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)NCc3cccnc3)c(C)s2)no1 ZINC000006680209 570674469 /nfs/dbraw/zinc/67/44/69/570674469.db2.gz BAJUFAGCFKORIB-UHFFFAOYSA-N -1 3 392.462 2.479 40 0 GEABHM CO[C@@H]1CCC[C@H](C(=O)N[C@@H](C)c2cc(=O)[n-]c(N3CCC(C)CC3)n2)C1 ZINC000019496987 570892237 /nfs/dbraw/zinc/89/22/37/570892237.db2.gz CEHREBUNWFJGTN-HRCADAONSA-N -1 3 376.501 2.389 40 0 GEABHM COc1cc(-c2nnc(SCC(=O)NC3CCCC3)n2C)cc(OC)c1[O-] ZINC000015885157 570909411 /nfs/dbraw/zinc/90/94/11/570909411.db2.gz AGSITCBSNHCSFT-UHFFFAOYSA-N -1 3 392.481 2.356 40 0 GEABHM CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)CC1 ZINC000257332114 570909608 /nfs/dbraw/zinc/90/96/08/570909608.db2.gz XVUUOIARIWWSBI-JYJNAYRXSA-N -1 3 388.512 2.081 40 0 GEABHM C[C@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)c1cccc([O-])c1 ZINC000585097976 570922279 /nfs/dbraw/zinc/92/22/79/570922279.db2.gz QBCDFPKMWFVRBJ-AWEZNQCLSA-N -1 3 394.431 2.258 40 0 GEABHM O=C([O-])c1[nH]c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)c1CN1CCCC1 ZINC000222669419 532485988 /nfs/dbraw/zinc/48/59/88/532485988.db2.gz WRCYOTQYDNXMFO-UHFFFAOYSA-N -1 3 384.219 2.127 40 0 GEABHM O=C(C1CC1)N1CCc2nc(C3CCN(C(=O)C4CCCC4)CC3)[n-]c(=O)c2C1 ZINC000019014529 207099312 /nfs/dbraw/zinc/09/93/12/207099312.db2.gz GYAMVIPKRWFILP-UHFFFAOYSA-N -1 3 398.507 2.373 40 0 GEABHM CC[C@@H](C(=O)N1CCC(n2nnc3c2nc(C)[n-]c3=O)CC1)c1ccccc1 ZINC000019500535 207127667 /nfs/dbraw/zinc/12/76/67/207127667.db2.gz RYANXRJDRXTTHY-MRXNPFEDSA-N -1 3 380.452 2.180 40 0 GEABHM CC(C)c1cc(=O)[n-]c([C@@H]2CCCN2C(=O)C[C@@H]2NC(=O)c3ccccc32)n1 ZINC000019452519 207122341 /nfs/dbraw/zinc/12/23/41/207122341.db2.gz KSTOQNIGACUVCO-IRXDYDNUSA-N -1 3 380.448 2.432 40 0 GEABHM COc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)c(C)c1C ZINC000019577388 207138037 /nfs/dbraw/zinc/13/80/37/207138037.db2.gz CRYQBGLZDWOJRX-UHFFFAOYSA-N -1 3 377.448 2.411 40 0 GEABHM CCOc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc1 ZINC000019533391 207131540 /nfs/dbraw/zinc/13/15/40/207131540.db2.gz KMIHVQHKGJMMCN-UHFFFAOYSA-N -1 3 377.448 2.226 40 0 GEABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1cccs1)C3 ZINC000019962282 207173020 /nfs/dbraw/zinc/17/30/20/207173020.db2.gz QKAUYZDSZIUWFD-NSHDSACASA-N -1 3 385.445 2.096 40 0 GEABHM O=C(c1c[n-]c2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022233963 207249145 /nfs/dbraw/zinc/24/91/45/207249145.db2.gz MTGPQJDMSPPIFL-UHFFFAOYSA-N -1 3 391.427 2.215 40 0 GEABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1 ZINC000022609970 207258039 /nfs/dbraw/zinc/25/80/39/207258039.db2.gz SWBJYFNBPPDRCA-OAHLLOKOSA-N -1 3 395.463 2.442 40 0 GEABHM CCOc1ccccc1CN1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[n-]c2=O)C1 ZINC000072347183 136168856 /nfs/dbraw/zinc/16/88/56/136168856.db2.gz MJHDEYIQPSSNJW-HZPDHXFCSA-N -1 3 398.507 2.341 40 0 GEABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21 ZINC000223054043 136205633 /nfs/dbraw/zinc/20/56/33/136205633.db2.gz LVKCSDJUQSMSFS-OCCSQVGLSA-N -1 3 395.463 2.379 40 0 GEABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccncc1 ZINC000409389044 533965584 /nfs/dbraw/zinc/96/55/84/533965584.db2.gz GCHDNYSPGLHDEV-JTQLQIEISA-N -1 3 388.276 2.372 40 0 GEABHM CCCn1nnnc1NC(=S)[N-]C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000006462584 570480780 /nfs/dbraw/zinc/48/07/80/570480780.db2.gz DYBJMXFDIFGCAT-UHFFFAOYSA-N -1 3 376.486 2.273 40 0 GEABHM CCn1c(CN2CCc3c(=O)[n-]c(N4CCCC4)nc3C2)nc2ccccc21 ZINC000012087377 570606210 /nfs/dbraw/zinc/60/62/10/570606210.db2.gz DJLDXIYECUUVDZ-UHFFFAOYSA-N -1 3 378.480 2.298 40 0 GEABHM O=c1[n-]c(-c2cccnc2)nc2c1CN(Cc1ccnc(N3CCCC3)n1)CC2 ZINC000012122112 570613182 /nfs/dbraw/zinc/61/31/82/570613182.db2.gz YGRPYIYWFLEQRM-UHFFFAOYSA-N -1 3 389.463 2.193 40 0 GEABHM COc1cc2c(cc1CC[N-]S(=O)(=O)c1c(C)nn(C)c1Cl)CCC2 ZINC000012240283 570630130 /nfs/dbraw/zinc/63/01/30/570630130.db2.gz YTGKKKACPIMQNI-UHFFFAOYSA-N -1 3 383.901 2.400 40 0 GEABHM CCCc1nc2c(nnn2C2CCN(C(=O)c3ccc(F)cc3)CC2)c(=O)[n-]1 ZINC000012242169 570630542 /nfs/dbraw/zinc/63/05/42/570630542.db2.gz YFYUXWCLNXZAHJ-UHFFFAOYSA-N -1 3 384.415 2.496 40 0 GEABHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)O)c(Br)cc1Br ZINC000054363445 570677645 /nfs/dbraw/zinc/67/76/45/570677645.db2.gz DGGLYHCIJFSCFH-SSDOTTSWSA-N -1 3 387.093 2.179 40 0 GEABHM CCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000071980207 570857776 /nfs/dbraw/zinc/85/77/76/570857776.db2.gz SLDDLKTXYSLFEM-CQSZACIVSA-N -1 3 386.370 2.443 40 0 GEABHM O=C(NCCc1cccs1)[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21 ZINC000585096194 570922601 /nfs/dbraw/zinc/92/26/01/570922601.db2.gz XSKWUZUKLFJWEC-SFHVURJKSA-N -1 3 396.472 2.206 40 0 GEABHM C[C@@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)c1cccc([O-])c1 ZINC000585098686 570925281 /nfs/dbraw/zinc/92/52/81/570925281.db2.gz XDHZZSCZYDEATO-CQSZACIVSA-N -1 3 382.464 2.407 40 0 GEABHM COc1cccc(OC)c1CN1CCc2nc(-c3ccccn3)[n-]c(=O)c2CC1 ZINC000019567116 210266618 /nfs/dbraw/zinc/26/66/18/210266618.db2.gz GXOZYXXLGCPIBK-UHFFFAOYSA-N -1 3 392.459 2.450 40 0 GEABHM COc1ccc(CN2CC[C@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c(OC)c1 ZINC000019552196 210260953 /nfs/dbraw/zinc/26/09/53/210260953.db2.gz OTWTZFHASQFAKE-HNNXBMFYSA-N -1 3 384.480 2.377 40 0 GEABHM CCOc1cc(CN2CCc3c(=O)[n-]c(N4CCCCC4)nc3C2)ccc1O ZINC000019531861 210258787 /nfs/dbraw/zinc/25/87/87/210258787.db2.gz ZJNWCJLLXROVTI-UHFFFAOYSA-N -1 3 384.480 2.423 40 0 GEABHM CCc1cc(=O)[n-]c([C@H]2CCCN2C(=O)COc2c(OC)cccc2OC)n1 ZINC000019522535 210256434 /nfs/dbraw/zinc/25/64/34/210256434.db2.gz LHQCAGSKZYJBBG-CQSZACIVSA-N -1 3 387.436 2.092 40 0 GEABHM CCc1nn(C)c(C(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)c1C ZINC000019521001 210255164 /nfs/dbraw/zinc/25/51/64/210255164.db2.gz JOUQYBSORQLDLS-OAHLLOKOSA-N -1 3 392.463 2.066 40 0 GEABHM CCc1onc(C)c1C(=O)N1CC[C@H](c2nc(-c3cccnc3)cc(=O)[n-]2)C1 ZINC000019521085 210254670 /nfs/dbraw/zinc/25/46/70/210254670.db2.gz QAKFIAUKOLBGQY-AWEZNQCLSA-N -1 3 379.420 2.320 40 0 GEABHM C[C@@H](CC(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1)n1cncn1 ZINC000019455228 210251455 /nfs/dbraw/zinc/25/14/55/210251455.db2.gz OJQRHENIORAQKL-UONOGXRCSA-N -1 3 398.492 2.447 40 0 GEABHM COc1ccc([C@H](NC(=O)CC[C@]2(C)NC(=O)[N-]C2=O)c2ccccc2)cc1 ZINC000019460291 210250429 /nfs/dbraw/zinc/25/04/29/210250429.db2.gz CSGDTTSRGVEEPP-NQIIRXRSSA-N -1 3 381.432 2.279 40 0 GEABHM C[C@@H](C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CCN(C)C3)CC1)c1ccccc1 ZINC000019459102 210250140 /nfs/dbraw/zinc/25/01/40/210250140.db2.gz ZFPVXNXNPZLFQU-OAHLLOKOSA-N -1 3 380.492 2.268 40 0 GEABHM O=C(CCCn1cncn1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1 ZINC000019344276 210242215 /nfs/dbraw/zinc/24/22/15/210242215.db2.gz WGRCPRZPNWSXQC-CQSZACIVSA-N -1 3 398.492 2.276 40 0 GEABHM O=C(CCCn1cncn1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1 ZINC000019344279 210241165 /nfs/dbraw/zinc/24/11/65/210241165.db2.gz WGRCPRZPNWSXQC-AWEZNQCLSA-N -1 3 398.492 2.276 40 0 GEABHM Cn1ccc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)cc1=O ZINC000019290826 210237280 /nfs/dbraw/zinc/23/72/80/210237280.db2.gz IMNYEEQTPATSPZ-UHFFFAOYSA-N -1 3 396.472 2.217 40 0 GEABHM Cc1nc(C)n(CC(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)n1 ZINC000019285720 210235306 /nfs/dbraw/zinc/23/53/06/210235306.db2.gz SPZZBAAFAQNRKE-CQSZACIVSA-N -1 3 398.492 2.113 40 0 GEABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccnn2C)cc(=O)[n-]1 ZINC000019285159 210234715 /nfs/dbraw/zinc/23/47/15/210234715.db2.gz OYHWOJPPSWTBAR-MRXNPFEDSA-N -1 3 376.420 2.007 40 0 GEABHM CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)CCc4ccccc4)C3)nc2C1 ZINC000019019087 210223053 /nfs/dbraw/zinc/22/30/53/210223053.db2.gz MWXFBEHRXJBJCX-KRWDZBQOSA-N -1 3 394.475 2.036 40 0 GEABHM C[C@@H](C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1)N1CCCC1 ZINC000019078028 210223002 /nfs/dbraw/zinc/22/30/02/210223002.db2.gz LFYARFFVONBRBO-ZDUSSCGKSA-N -1 3 387.509 2.084 40 0 GEABHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2C)cc1 ZINC000013671854 210077354 /nfs/dbraw/zinc/07/73/54/210077354.db2.gz RADFXAGXKXTTIP-UHFFFAOYSA-N -1 3 375.494 2.396 40 0 GEABHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)NC[C@H]3CCCO3)c(C)s2)no1 ZINC000006680219 531527503 /nfs/dbraw/zinc/52/75/03/531527503.db2.gz BVPOTGWUZVSEPA-LLVKDONJSA-N -1 3 385.467 2.063 40 0 GEABHM S=C(NN=c1nc(N2CCCC2)nc(N2CCCC2)[n-]1)NC1CCCCC1 ZINC000000842747 209271991 /nfs/dbraw/zinc/27/19/91/209271991.db2.gz OHQKDYWYUPNFLT-UHFFFAOYSA-N -1 3 390.561 2.196 40 0 GEABHM COc1ccc(CN2CCc3c(=O)[n-]c(N4CCC[C@@H](C)C4)nc3C2)cc1O ZINC000012182681 221162370 /nfs/dbraw/zinc/16/23/70/221162370.db2.gz LZPBZYCMUQKGQQ-CQSZACIVSA-N -1 3 384.480 2.279 40 0 GEABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccncc1 ZINC000409389047 533479167 /nfs/dbraw/zinc/47/91/67/533479167.db2.gz GCHDNYSPGLHDEV-SNVBAGLBSA-N -1 3 388.276 2.372 40 0 GEABHM COc1ccc(CN2CCc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c3C2)cc1CO ZINC000072389579 136169100 /nfs/dbraw/zinc/16/91/00/136169100.db2.gz VGQMWZHNBVIZPJ-HNNXBMFYSA-N -1 3 398.507 2.065 40 0 GEABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)cc1F ZINC000109423683 136191935 /nfs/dbraw/zinc/19/19/35/136191935.db2.gz ODFRTJPKPXRGPP-UHFFFAOYSA-N -1 3 379.457 2.387 40 0 GEABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1 ZINC000022609974 570323116 /nfs/dbraw/zinc/32/31/16/570323116.db2.gz SWBJYFNBPPDRCA-HNNXBMFYSA-N -1 3 395.463 2.442 40 0 GEABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1 ZINC000022609889 570323223 /nfs/dbraw/zinc/32/32/23/570323223.db2.gz FRRGGUQMDCNOOA-OAHLLOKOSA-N -1 3 395.463 2.387 40 0 GEABHM CCOc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 ZINC000223276364 570455224 /nfs/dbraw/zinc/45/52/24/570455224.db2.gz NDAJVNAMIHOEJN-UHFFFAOYSA-N -1 3 398.510 2.400 40 0 GEABHM NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000223296266 570456672 /nfs/dbraw/zinc/45/66/72/570456672.db2.gz SURKMAHSYYDXNK-UHFFFAOYSA-N -1 3 385.239 2.114 40 0 GEABHM COc1ccc(NC(=O)C(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000004199531 570623172 /nfs/dbraw/zinc/62/31/72/570623172.db2.gz COGLNCPMMMACHM-BLLLJJGKSA-N -1 3 385.342 2.273 40 0 GEABHM C/C=C/C(=O)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1 ZINC000005059006 570658615 /nfs/dbraw/zinc/65/86/15/570658615.db2.gz GRMGQMRBGILFMT-NSCUHMNNSA-N -1 3 396.426 2.396 40 0 GEABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)C4CC4)CC2)[n-]c3=O)cc1 ZINC000005738573 570664444 /nfs/dbraw/zinc/66/44/44/570664444.db2.gz YXJILKYXORIESO-UHFFFAOYSA-N -1 3 392.463 2.400 40 0 GEABHM Cc1ncc2c(n1)[C@@]1(CCN(Cc3cn(CC(=O)[O-])c4ccccc34)C1)COC2 ZINC000247983345 570719377 /nfs/dbraw/zinc/71/93/77/570719377.db2.gz YCRLOHRKVMBTHS-JOCHJYFZSA-N -1 3 392.459 2.498 40 0 GEABHM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCN(C)C)ccc1C ZINC000013613771 570762963 /nfs/dbraw/zinc/76/29/63/570762963.db2.gz VOLUZMZUKKNIBD-UHFFFAOYSA-N -1 3 375.494 2.396 40 0 GEABHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCN(C)C)c2C)cc1 ZINC000010111671 570781886 /nfs/dbraw/zinc/78/18/86/570781886.db2.gz PEJLUGISRSBRIF-UHFFFAOYSA-N -1 3 375.494 2.396 40 0 GEABHM CC(C)(S[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)[C@@H](N)C(=O)[O-] ZINC000019927525 570932008 /nfs/dbraw/zinc/93/20/08/570932008.db2.gz KSXWTZONWIHVDR-PWSUYJOCSA-N -1 3 390.383 2.261 40 0 GEABHM C[C@@H](c1cc(=O)[n-]c(NC[C@]2(C)CCCO2)n1)n1ncc2ccccc2c1=O ZINC000019717493 571040336 /nfs/dbraw/zinc/04/03/36/571040336.db2.gz ATPHJPUXJRIZKB-RBZFPXEDSA-N -1 3 381.436 2.070 40 0 GEABHM COc1ccccc1CN1CCc2c(nc(N3C[C@H](C)O[C@@H](C)C3)[n-]c2=O)C1 ZINC000019497610 210252925 /nfs/dbraw/zinc/25/29/25/210252925.db2.gz KGPIZTSFFZVSIR-GJZGRUSLSA-N -1 3 384.480 2.363 40 0 GEABHM CC(C)c1cc(=O)[n-]c([C@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)n1 ZINC000019452537 210249965 /nfs/dbraw/zinc/24/99/65/210249965.db2.gz FUPZIXZNLRCMJD-QGZVFWFLSA-N -1 3 380.448 2.213 40 0 GEABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000408591527 231070827 /nfs/dbraw/zinc/07/08/27/231070827.db2.gz JLVHKZPRWXVLME-OAHLLOKOSA-N -1 3 392.477 2.326 40 0 GEABHM CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)Cc3ccsc3)nc2C1 ZINC000019019029 210223655 /nfs/dbraw/zinc/22/36/55/210223655.db2.gz ADLMOVZYVVVUIZ-INIZCTEOSA-N -1 3 386.477 2.055 40 0 GEABHM Cc1cc(C(F)F)nn1[C@H](C)C(=O)N1[C@@H]2CC[C@H]1Cc1c(=O)[n-]c(C)nc1C2 ZINC000072373143 211101995 /nfs/dbraw/zinc/10/19/95/211101995.db2.gz KRVHHXGRZVJXNY-KGYLQXTDSA-N -1 3 391.422 2.240 40 0 GEABHM COc1ccc(C2(C(=O)N3CCC(Nc4nc(C)cc(=O)[n-]4)CC3)CC2)cc1 ZINC000072341845 211093996 /nfs/dbraw/zinc/09/39/96/211093996.db2.gz LADRJGYEMBXJHV-UHFFFAOYSA-N -1 3 382.464 2.222 40 0 GEABHM Cc1ccnc(-n2cccc2CN2CCc3c(=O)[n-]c(N4CCCC4)nc3C2)c1 ZINC000072335556 211093865 /nfs/dbraw/zinc/09/38/65/211093865.db2.gz FSZDIOYHGKYRKJ-UHFFFAOYSA-N -1 3 390.491 2.423 40 0 GEABHM CC(=O)OCc1ccc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)o1 ZINC000072339821 211092899 /nfs/dbraw/zinc/09/28/99/211092899.db2.gz PJNHPQIZXAFIJY-UHFFFAOYSA-N -1 3 380.404 2.459 40 0 GEABHM CCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccccc1Br ZINC000071980203 211067266 /nfs/dbraw/zinc/06/72/66/211067266.db2.gz RULAPGVQDFHTCJ-CQSZACIVSA-N -1 3 397.269 2.187 40 0 GEABHM Cc1nn(C)cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C)n1 ZINC000019583585 210270708 /nfs/dbraw/zinc/27/07/08/210270708.db2.gz UZUYMABBJMWRRQ-SFHVURJKSA-N -1 3 390.447 2.315 40 0 GEABHM Cc1nc(C)c(C(=O)N2C[C@@H]3c4nc(N5CCCC5)[n-]c(=O)c4CC[C@@H]3C2)s1 ZINC000012120056 221154224 /nfs/dbraw/zinc/15/42/24/221154224.db2.gz OIWORYWUSZXVPA-HIFRSBDPSA-N -1 3 399.520 2.245 40 0 GEABHM COc1cc(CN2CCc3c(=O)[n-]c(N4CCC(C)CC4)nc3C2)ccc1O ZINC000072347349 136168934 /nfs/dbraw/zinc/16/89/34/136168934.db2.gz LVLFFYRXXBRVGX-UHFFFAOYSA-N -1 3 384.480 2.279 40 0 GEABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccccn1 ZINC000409393766 533965452 /nfs/dbraw/zinc/96/54/52/533965452.db2.gz XSPQNRPMVMNWNU-JTQLQIEISA-N -1 3 388.276 2.372 40 0 GEABHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1 ZINC000409120097 528846724 /nfs/dbraw/zinc/84/67/24/528846724.db2.gz RPBWIAUIILUPDK-UHFFFAOYSA-N -1 3 392.433 2.388 40 0 GEABHM COc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000223200118 570449532 /nfs/dbraw/zinc/44/95/32/570449532.db2.gz XNKDRKYMMFRVKL-SNVBAGLBSA-N -1 3 384.483 2.181 40 0 GEABHM COc1ccc(CC[N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 ZINC000223323671 570458678 /nfs/dbraw/zinc/45/86/78/570458678.db2.gz QBPAMTLWCTXAFM-UHFFFAOYSA-N -1 3 382.825 2.304 40 0 GEABHM O=C(c1cccc([O-])c1)N1Cc2ccnn2[C@H](C(=O)N2CCC(F)(F)CC2)C1 ZINC000575403001 570519503 /nfs/dbraw/zinc/51/95/03/570519503.db2.gz FLZHHJBFADTJEY-INIZCTEOSA-N -1 3 390.390 2.044 40 0 GEABHM Cc1c(C(=O)N2CC[C@@H](c3cc(=O)[n-]c(N(C)C)n3)C2)[nH]c2c1C(=O)CCC2 ZINC000012367437 570647307 /nfs/dbraw/zinc/64/73/07/570647307.db2.gz YHZCRNNGOJDYHF-GFCCVEGCSA-N -1 3 383.452 2.033 40 0 GEABHM CC(=O)c1ccc(NC(=O)CSc2nc3[nH]c(=O)[n-]c(=O)c3s2)cc1 ZINC000004987592 570650099 /nfs/dbraw/zinc/65/00/99/570650099.db2.gz LYDMINKWYJWOOY-UHFFFAOYSA-N -1 3 376.419 2.019 40 0 GEABHM CSCC[C@H](NC(=O)c1ccncc1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019574012 210267710 /nfs/dbraw/zinc/26/77/10/210267710.db2.gz LECACWDDGNVOKQ-HNNXBMFYSA-N -1 3 381.461 2.451 40 0 GEABHM Cc1c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cnn1C ZINC000019553414 210262026 /nfs/dbraw/zinc/26/20/26/210262026.db2.gz OHNGVGDFURIPJZ-GOSISDBHSA-N -1 3 390.447 2.315 40 0 GEABHM CCN1CCN(c2nc([C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cc(=O)[n-]2)CC1 ZINC000019528241 210258165 /nfs/dbraw/zinc/25/81/65/210258165.db2.gz HUDSZVLWVGPCGK-QGZVFWFLSA-N -1 3 395.507 2.461 40 0 GEABHM CCc1onc(C)c1C(=O)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000019521086 210254866 /nfs/dbraw/zinc/25/48/66/210254866.db2.gz QPCCJOFZNZFMHZ-CQSZACIVSA-N -1 3 379.420 2.320 40 0 GEABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1ccccc1 ZINC000408605377 231077417 /nfs/dbraw/zinc/07/74/17/231077417.db2.gz JYJSANDGOKTOBR-LBPRGKRZSA-N -1 3 382.869 2.332 40 0 GEABHM O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[n-]2)C1 ZINC000019293199 210240506 /nfs/dbraw/zinc/24/05/06/210240506.db2.gz HIPIKBAKHZLALV-AWEZNQCLSA-N -1 3 394.406 2.235 40 0 GEABHM Cn1cc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)ccc1=O ZINC000019290494 210237464 /nfs/dbraw/zinc/23/74/64/210237464.db2.gz FGPRUZACVAHYGU-UHFFFAOYSA-N -1 3 396.472 2.217 40 0 GEABHM CC(=O)OCc1ccc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)o1 ZINC000019023041 210223435 /nfs/dbraw/zinc/22/34/35/210223435.db2.gz YYJHCPMNHOFYNX-UHFFFAOYSA-N -1 3 394.431 2.089 40 0 GEABHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2[nH]c1=O ZINC000013582105 210070993 /nfs/dbraw/zinc/07/09/93/210070993.db2.gz BCLBOLWOXQCKFP-UHFFFAOYSA-N -1 3 386.216 2.324 40 0 GEABHM O=C(Cc1ccc(O)cc1)NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[n-]c1=O)O2 ZINC000257217264 212004740 /nfs/dbraw/zinc/00/47/40/212004740.db2.gz CYGGBAJRWHXDEX-VLIAUNLRSA-N -1 3 385.420 2.131 40 0 GEABHM COc1cccc(-c2nnc(NC(=O)CCc3c(C)[n-][nH]c3=O)s2)c1OC ZINC000100786828 211392799 /nfs/dbraw/zinc/39/27/99/211392799.db2.gz JMJKDAICWCVYES-JTQLQIEISA-N -1 3 389.437 2.063 40 0 GEABHM CCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc(C(F)(F)F)c1 ZINC000071980184 211068369 /nfs/dbraw/zinc/06/83/69/211068369.db2.gz NAIRYOQASBIYCZ-CQSZACIVSA-N -1 3 386.370 2.443 40 0 GEABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1Cl ZINC000020457042 210337451 /nfs/dbraw/zinc/33/74/51/210337451.db2.gz VSJCTSRKJPRQKD-UHFFFAOYSA-N -1 3 379.825 2.310 40 0 GEABHM COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCCN2C(=O)c2ccccn2)n1 ZINC000019594669 210274357 /nfs/dbraw/zinc/27/43/57/210274357.db2.gz KLYYMNJVZUDUMP-MRXNPFEDSA-N -1 3 377.404 2.213 40 0 GEABHM CS(=O)(=O)[N-]c1cc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)ccn1 ZINC000035425556 560080851 /nfs/dbraw/zinc/08/08/51/560080851.db2.gz WNNTUHLHOOEJHH-INIZCTEOSA-N -1 3 399.476 2.840 40 0 biogenic,in-vitro GEABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21 ZINC000020800165 570281383 /nfs/dbraw/zinc/28/13/83/570281383.db2.gz OWHWYYWRVGQYEG-AWEZNQCLSA-N -1 3 395.463 2.387 40 0 GEABHM CC1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2)CC(=O)N3)CC1 ZINC000022610047 570323044 /nfs/dbraw/zinc/32/30/44/570323044.db2.gz ZMGPQTJAHVKHRE-AWEZNQCLSA-N -1 3 381.436 2.071 40 0 GEABHM COc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000223021943 570437849 /nfs/dbraw/zinc/43/78/49/570437849.db2.gz JRKVFDIDLUIOAG-GFCCVEGCSA-N -1 3 384.479 2.106 40 0 GEABHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccccc1CN1CCCC1=O ZINC000223713394 570481185 /nfs/dbraw/zinc/48/11/85/570481185.db2.gz RJLRJVCVOQMFGO-UHFFFAOYSA-N -1 3 392.452 2.435 40 0 GEABHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000225349611 570566290 /nfs/dbraw/zinc/56/62/90/570566290.db2.gz UPHLZVUPEJUAGM-JTQLQIEISA-N -1 3 384.483 2.181 40 0 GEABHM C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2)CC(=O)N3)C1 ZINC000040388766 570599921 /nfs/dbraw/zinc/59/99/21/570599921.db2.gz BBFFCYJMLQFKQB-OCCSQVGLSA-N -1 3 381.436 2.071 40 0 GEABHM [O-]C(c1ccccc1)=C1[C@@H](c2cccnc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000004338091 570626765 /nfs/dbraw/zinc/62/67/65/570626765.db2.gz LKOSKKKYWCAGOJ-XJKCOSOUSA-N -1 3 381.379 2.350 40 0 GEABHM [O-]C(c1ccccc1)=C1[C@H](c2cccnc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000004338079 570626898 /nfs/dbraw/zinc/62/68/98/570626898.db2.gz LKOSKKKYWCAGOJ-DVOMOZLQSA-N -1 3 381.379 2.350 40 0 GEABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21 ZINC000040388874 570743817 /nfs/dbraw/zinc/74/38/17/570743817.db2.gz LVKCSDJUQSMSFS-JSGCOSHPSA-N -1 3 395.463 2.379 40 0 GEABHM O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21 ZINC000585096090 570922755 /nfs/dbraw/zinc/92/27/55/570922755.db2.gz QGAXLODRAPMEJZ-KRWDZBQOSA-N -1 3 382.445 2.164 40 0 GEABHM C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)c1cccc([O-])c1 ZINC000585096534 570923624 /nfs/dbraw/zinc/92/36/24/570923624.db2.gz RUWRLWHNCIZERD-CYBMUJFWSA-N -1 3 380.404 2.329 40 0 GEABHM CCOc1ccc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1 ZINC000019533389 210257660 /nfs/dbraw/zinc/25/76/60/210257660.db2.gz IHOWJVMVXDICCS-UHFFFAOYSA-N -1 3 384.480 2.018 40 0 GEABHM CCc1noc(C)c1C(=O)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000019521187 210254642 /nfs/dbraw/zinc/25/46/42/210254642.db2.gz HXFUBKAYJWVKCK-CQSZACIVSA-N -1 3 379.420 2.320 40 0 GEABHM COc1ccccc1[C@@H](NC(=O)CC[C@]1(C)NC(=O)[N-]C1=O)c1ccccc1 ZINC000019460297 210251129 /nfs/dbraw/zinc/25/11/29/210251129.db2.gz PCHDRQRENATBSZ-RXVVDRJESA-N -1 3 381.432 2.279 40 0 GEABHM C[C@@H](C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1)c1ccccc1 ZINC000019459194 210250318 /nfs/dbraw/zinc/25/03/18/210250318.db2.gz BLEYJRJYYUUGSF-WBVHZDCISA-N -1 3 380.492 2.268 40 0 GEABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000408590451 231070468 /nfs/dbraw/zinc/07/04/68/231070468.db2.gz HHQUEIRXMQZRET-HNNXBMFYSA-N -1 3 392.477 2.326 40 0 GEABHM O=C([N-]C1=NCCS1)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 ZINC000409148864 231172007 /nfs/dbraw/zinc/17/20/07/231172007.db2.gz SWJFZCONMDTYRZ-UHFFFAOYSA-N -1 3 375.435 2.174 40 0 GEABHM O=C(Cn1cccn1)N[C@@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000019369338 210243835 /nfs/dbraw/zinc/24/38/35/210243835.db2.gz XUWQBPGXITXDTM-SFHVURJKSA-N -1 3 377.448 2.334 40 0 GEABHM Cc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)cc1 ZINC000019209472 210228476 /nfs/dbraw/zinc/22/84/76/210228476.db2.gz QYGYWBXQLOJJMH-QGZVFWFLSA-N -1 3 380.492 2.015 40 0 GEABHM Cc1cc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)sc1C ZINC000019124715 210227346 /nfs/dbraw/zinc/22/73/46/210227346.db2.gz ISSXFWCMSQJJMC-AWEZNQCLSA-N -1 3 386.521 2.456 40 0 GEABHM C[C@H](C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1)N1CCCC1 ZINC000019078026 210223285 /nfs/dbraw/zinc/22/32/85/210223285.db2.gz LFYARFFVONBRBO-CYBMUJFWSA-N -1 3 387.509 2.084 40 0 GEABHM O=C(C1CC1)N1CCc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019014535 210221509 /nfs/dbraw/zinc/22/15/09/210221509.db2.gz ZUUAOSONIUXEBB-INIZCTEOSA-N -1 3 398.507 2.373 40 0 GEABHM CC(C)N1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000257314261 212023464 /nfs/dbraw/zinc/02/34/64/212023464.db2.gz UWBXSGWVLOOEIN-HXUWFJFHSA-N -1 3 381.476 2.432 40 0 GEABHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257292351 212017768 /nfs/dbraw/zinc/01/77/68/212017768.db2.gz QLCATNGGTNRDFP-CQSZACIVSA-N -1 3 380.404 2.486 40 0 GEABHM O=C(c1ncccc1[O-])N1CCC[C@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257274922 212013772 /nfs/dbraw/zinc/01/37/72/212013772.db2.gz NNGDIFAVYRGTFL-JOCHJYFZSA-N -1 3 381.476 2.203 40 0 GEABHM CC(C)c1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)c1 ZINC000257248101 212010347 /nfs/dbraw/zinc/01/03/47/212010347.db2.gz JCCRDNRYJUHBNS-QWFCFKBJSA-N -1 3 376.497 2.250 40 0 GEABHM [O-]C(c1ccccc1)=C1[C@@H](c2cccnc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011691795 211674872 /nfs/dbraw/zinc/67/48/72/211674872.db2.gz LKOSKKKYWCAGOJ-IOASZLSFSA-N -1 3 381.379 2.350 40 0 GEABHM COc1ccc(CC[NH2+][C@H](C)[C@H](O)c2ccc([N-]S(C)(=O)=O)c([O-])c2)cc1 ZINC000084758834 211176563 /nfs/dbraw/zinc/17/65/63/211176563.db2.gz UOEHIRNDXGQHLQ-YJYMSZOUSA-N -1 3 394.493 2.027 40 0 in-man GEABHM COc1cc(CN2CCc3nc(N4CCC(C)CC4)[n-]c(=O)c3C2)ccc1O ZINC000020889520 210366284 /nfs/dbraw/zinc/36/62/84/210366284.db2.gz BYTOXUFRQFTGMB-UHFFFAOYSA-N -1 3 384.480 2.279 40 0 GEABHM Cc1ccc2oc(C(=O)N3C[C@@H]4c5nc(C)[n-]c(=O)c5CC[C@@H]4C3)cc(=O)c2c1 ZINC000012120117 221154847 /nfs/dbraw/zinc/15/48/47/221154847.db2.gz YMYIQEOOCBORNV-CJNGLKHVSA-N -1 3 391.427 2.295 40 0 GEABHM CC(=O)Nc1ccc(NC(=O)[C@@H]2C=C([O-])NC(Nc3ccc(F)cc3)=N2)cc1 ZINC000014607660 221313041 /nfs/dbraw/zinc/31/30/41/221313041.db2.gz BQZBPHBCJHNGGM-INIZCTEOSA-N -1 3 383.383 2.079 40 0 GEABHM O=c1[n-]c(N2CCCCC2)nc2c1CCN(Cc1coc3ccccc3c1=O)C2 ZINC000072389553 136169252 /nfs/dbraw/zinc/16/92/52/136169252.db2.gz SOALOIYUFNPFFX-UHFFFAOYSA-N -1 3 392.459 2.425 40 0 GEABHM COc1ccccc1NC(=O)C(=O)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000409347950 534166145 /nfs/dbraw/zinc/16/61/45/534166145.db2.gz PDPBBZCEZCZKFK-QFYYESIMSA-N -1 3 385.342 2.273 40 0 GEABHM COc1ccc2[nH]c(C[C@H]3CN(Cc4c[nH]cn4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288392 560034826 /nfs/dbraw/zinc/03/48/26/560034826.db2.gz CESDXXRHAKAMST-KBPBESRZSA-N -1 3 383.452 2.450 40 0 biogenic,in-vitro GEABHM O=C([O-])c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c(=O)c1CN1CCCCC1 ZINC000222670433 570419900 /nfs/dbraw/zinc/41/99/00/570419900.db2.gz RMTNWQJLQZDEDZ-UHFFFAOYSA-N -1 3 397.353 2.229 40 0 GEABHM COc1ccc(CC[N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1 ZINC000223341694 570459878 /nfs/dbraw/zinc/45/98/78/570459878.db2.gz XUHCIVMFMBOCSW-UHFFFAOYSA-N -1 3 396.852 2.315 40 0 GEABHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(C)CC3)c2C)cc1 ZINC000010112861 570565701 /nfs/dbraw/zinc/56/57/01/570565701.db2.gz GBEHGLGFFJPHNW-UHFFFAOYSA-N -1 3 387.505 2.492 40 0 GEABHM COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000225552461 570587469 /nfs/dbraw/zinc/58/74/69/570587469.db2.gz LCUAVONBGRLGMF-UHFFFAOYSA-N -1 3 384.483 2.010 40 0 GEABHM CCc1cc(=O)[n-]c(NC2CCN(C(=O)C3(c4ccc(OC)cc4)CC3)CC2)n1 ZINC000012113706 570609613 /nfs/dbraw/zinc/60/96/13/570609613.db2.gz SZZMHWIXEWNPOR-UHFFFAOYSA-N -1 3 396.491 2.476 40 0 GEABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(C)=O)s1)c1ccc(OC)c(C)c1 ZINC000225862862 570628295 /nfs/dbraw/zinc/62/82/95/570628295.db2.gz NBXLHNYSTYPMBL-LBPRGKRZSA-N -1 3 384.483 2.243 40 0 GEABHM COc1ccc(NC(=O)[C@](C)([N-]S(C)(=O)=O)c2ccc(F)cc2)cc1OC ZINC000225958682 570636886 /nfs/dbraw/zinc/63/68/86/570636886.db2.gz JTBVQMAMEOUAIG-GOSISDBHSA-N -1 3 396.440 2.246 40 0 GEABHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CN(C)CCO ZINC000004950156 570646485 /nfs/dbraw/zinc/64/64/85/570646485.db2.gz YAFUNDRACMJEHJ-UHFFFAOYSA-N -1 3 385.258 2.247 40 0 GEABHM O=C(C[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)NCc1ccco1 ZINC000585095751 570922296 /nfs/dbraw/zinc/92/22/96/570922296.db2.gz IAIVXDDUELETRT-MRXNPFEDSA-N -1 3 380.404 2.085 40 0 GEABHM Cc1cc(C(=O)N2CC[C@@H](c3nc(-c4ccsc4)cc(=O)[n-]3)C2)c(=O)[nH]c1C ZINC000019566721 210266691 /nfs/dbraw/zinc/26/66/91/210266691.db2.gz QKFDMNVLQPXWIX-CYBMUJFWSA-N -1 3 396.472 2.433 40 0 GEABHM COc1cccc(OC)c1CN1CC[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000019567003 210265762 /nfs/dbraw/zinc/26/57/62/210265762.db2.gz WZAWMYGQPKTFDS-OAHLLOKOSA-N -1 3 384.480 2.377 40 0 GEABHM COc1cccc(CC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)c1 ZINC000019564054 210263600 /nfs/dbraw/zinc/26/36/00/210263600.db2.gz SVWZMAMMQLFXTI-QGZVFWFLSA-N -1 3 390.443 2.399 40 0 GEABHM CCOc1ccccc1C(=O)N1CCc2nc(-c3ccncc3)[n-]c(=O)c2CC1 ZINC000019520137 210254120 /nfs/dbraw/zinc/25/41/20/210254120.db2.gz WKDRLGROZPQKCY-UHFFFAOYSA-N -1 3 390.443 2.472 40 0 GEABHM COc1ccc([C@@H](NC(=O)CC[C@@]2(C)NC(=O)[N-]C2=O)c2ccccc2)cc1 ZINC000019460285 210251095 /nfs/dbraw/zinc/25/10/95/210251095.db2.gz CSGDTTSRGVEEPP-GHTZIAJQSA-N -1 3 381.432 2.279 40 0 GEABHM C[C@H](C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1)c1ccccc1 ZINC000019459192 210250657 /nfs/dbraw/zinc/25/06/57/210250657.db2.gz BLEYJRJYYUUGSF-DOTOQJQBSA-N -1 3 380.492 2.268 40 0 GEABHM O=C([N-]N1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1=O)c1cccnc1 ZINC000019337951 210241667 /nfs/dbraw/zinc/24/16/67/210241667.db2.gz YMFJHOCCBHGHLB-UHFFFAOYSA-N -1 3 379.420 2.186 40 0 GEABHM COC(=O)Cn1c(C)c(CN2CCc3c(nc(C)[n-]c3=O)C2)c2ccccc21 ZINC000072347444 211095610 /nfs/dbraw/zinc/09/56/10/211095610.db2.gz DPOOWPQAQPSBLW-UHFFFAOYSA-N -1 3 380.448 2.485 40 0 GEABHM CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccccc1OCC ZINC000071980400 211068232 /nfs/dbraw/zinc/06/82/32/211068232.db2.gz NCHKZXWXGONAAM-MRXNPFEDSA-N -1 3 376.453 2.213 40 0 GEABHM COc1ccc(Cn2c(=O)[n-]c(=O)c3c4c(cnc32)C(=O)CC(C)(C)C4)cc1 ZINC000019818780 210299485 /nfs/dbraw/zinc/29/94/85/210299485.db2.gz NIZSDNMXJDGEAB-UHFFFAOYSA-N -1 3 379.416 2.297 40 0 GEABHM COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC000019594681 210275167 /nfs/dbraw/zinc/27/51/67/210275167.db2.gz XXTIRHYIXVUUIK-INIZCTEOSA-N -1 3 390.443 2.399 40 0 GEABHM COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000019594692 210274866 /nfs/dbraw/zinc/27/48/66/210274866.db2.gz JYMMJCXCSMVKFZ-HNNXBMFYSA-N -1 3 376.416 2.470 40 0 GEABHM CC(=O)Nc1ccc(NC(=O)[C@H]2C=C([O-])NC(Nc3ccc(F)cc3)=N2)cc1 ZINC000014607661 221313686 /nfs/dbraw/zinc/31/36/86/221313686.db2.gz BQZBPHBCJHNGGM-MRXNPFEDSA-N -1 3 383.383 2.079 40 0 GEABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21 ZINC000022609923 570323231 /nfs/dbraw/zinc/32/32/31/570323231.db2.gz NLLUUQAKIDFDAA-CYBMUJFWSA-N -1 3 381.436 2.133 40 0 GEABHM CCOc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000223158605 570447636 /nfs/dbraw/zinc/44/76/36/570447636.db2.gz FZHLWMOIIMFZQM-UHFFFAOYSA-N -1 3 398.510 2.400 40 0 GEABHM Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1[N-]S(C)(=O)=O ZINC000224997411 570542111 /nfs/dbraw/zinc/54/21/11/570542111.db2.gz MRQOHWPBBDBIPY-UHFFFAOYSA-N -1 3 389.477 2.455 40 0 GEABHM CCn1c(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3C2)nc2ccccc21 ZINC000012145347 570615964 /nfs/dbraw/zinc/61/59/64/570615964.db2.gz HNUCFQPGKYWZEO-UHFFFAOYSA-N -1 3 378.480 2.298 40 0 GEABHM Cc1ccc2nc3sc(C(=O)Nc4c(C)[nH]c(=O)[n-]c4=O)c(N)c3cc2c1 ZINC000004848754 570634672 /nfs/dbraw/zinc/63/46/72/570634672.db2.gz VOVSYQFVBNZHSO-UHFFFAOYSA-N -1 3 381.417 2.277 40 0 GEABHM COc1ccc(NC(=O)[C@@](C)([N-]S(C)(=O)=O)c2ccc(F)cc2)c(OC)c1 ZINC000225958621 570636829 /nfs/dbraw/zinc/63/68/29/570636829.db2.gz GDGTWMBPVMHAMA-SFHVURJKSA-N -1 3 396.440 2.246 40 0 GEABHM O=c1[n-]c(N2CCCC2)nc2c1CCN(Cc1coc3ccccc3c1=O)C2 ZINC000045302356 570647134 /nfs/dbraw/zinc/64/71/34/570647134.db2.gz LYKFFVKPSFMRMY-UHFFFAOYSA-N -1 3 378.432 2.035 40 0 GEABHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1 ZINC000016642860 570888464 /nfs/dbraw/zinc/88/84/64/570888464.db2.gz RRFMFTBJMVIQOL-UHFFFAOYSA-N -1 3 390.461 2.277 40 0 GEABHM CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(=O)[n-]c(C)n2)CC1 ZINC000257245470 570893742 /nfs/dbraw/zinc/89/37/42/570893742.db2.gz IPQWIVJHYQKXIS-JXXFODFXSA-N -1 3 397.479 2.299 40 0 GEABHM Cc1nn(CC(=O)N2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[n-]2)c(C)c1C ZINC000019556462 210262317 /nfs/dbraw/zinc/26/23/17/210262317.db2.gz WUHSRZJHVJWKRK-GOSISDBHSA-N -1 3 392.463 2.317 40 0 GEABHM CCn1nc(C)c(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)c1C ZINC000019523839 210256973 /nfs/dbraw/zinc/25/69/73/210256973.db2.gz BWZAUEAKFKBNDH-UHFFFAOYSA-N -1 3 378.480 2.266 40 0 GEABHM CC(C)c1nc(N2CCC(NC(=O)c3c[n-]nn3)CC2)ncc1-c1ccncc1 ZINC000019451675 210250978 /nfs/dbraw/zinc/25/09/78/210250978.db2.gz KBADRDODJOUNBT-UHFFFAOYSA-N -1 3 392.467 2.179 40 0 GEABHM CC(C)c1nc(N2CCC(NC(=O)c3cnn[n-]3)CC2)ncc1-c1ccncc1 ZINC000019451675 210250981 /nfs/dbraw/zinc/25/09/81/210250981.db2.gz KBADRDODJOUNBT-UHFFFAOYSA-N -1 3 392.467 2.179 40 0 GEABHM CC(C)c1nc(N2CCC(NC(=O)c3cn[n-]n3)CC2)ncc1-c1ccncc1 ZINC000019451675 210250985 /nfs/dbraw/zinc/25/09/85/210250985.db2.gz KBADRDODJOUNBT-UHFFFAOYSA-N -1 3 392.467 2.179 40 0 GEABHM CO[C@@H]1CCC[C@H](C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)C1 ZINC000072397183 230951418 /nfs/dbraw/zinc/95/14/18/230951418.db2.gz NNKLXSVNLCRWPO-BHYGNILZSA-N -1 3 382.464 2.353 40 0 GEABHM CC(C)N1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CC5)C4)[n-]n3c(=O)c2C1 ZINC000019448065 210249097 /nfs/dbraw/zinc/24/90/97/210249097.db2.gz HXRGLOHRGXJZRT-OAHLLOKOSA-N -1 3 383.496 2.317 40 0 GEABHM CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(F)cc1)CC2 ZINC000019017168 210222142 /nfs/dbraw/zinc/22/21/42/210222142.db2.gz OLCIETJRZSMMPX-QGZVFWFLSA-N -1 3 384.411 2.203 40 0 GEABHM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016687980 210195233 /nfs/dbraw/zinc/19/52/33/210195233.db2.gz VTHWFROBTQMRKD-UHFFFAOYSA-N -1 3 392.477 2.409 40 0 GEABHM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000005895949 531519833 /nfs/dbraw/zinc/51/98/33/531519833.db2.gz KHCUYNKCRNUWCB-UHFFFAOYSA-N -1 3 381.262 2.442 40 0 GEABHM Cc1sc(C(=O)Nc2ccccc2[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000006679762 531529400 /nfs/dbraw/zinc/52/94/00/531529400.db2.gz LLJYWJCFWKLSHQ-UHFFFAOYSA-N -1 3 382.463 2.035 40 0 GEABHM O=C(CC[N-]S(=O)(=O)c1ccc(Br)s1)N1CCCCC1 ZINC000002465381 209190508 /nfs/dbraw/zinc/19/05/08/209190508.db2.gz STSJKWQIAZBLQC-UHFFFAOYSA-N -1 3 381.317 2.192 40 0 GEABHM CC(C)N1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000257314260 212023990 /nfs/dbraw/zinc/02/39/90/212023990.db2.gz UWBXSGWVLOOEIN-FQEVSTJZSA-N -1 3 381.476 2.432 40 0 GEABHM CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000257297938 212019326 /nfs/dbraw/zinc/01/93/26/212019326.db2.gz RJKWUZYEKIPYBE-MRXNPFEDSA-N -1 3 393.447 2.119 40 0 GEABHM Cc1ncsc1C(=O)NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[n-]c1=O)O2 ZINC000257273932 212015125 /nfs/dbraw/zinc/01/51/25/212015125.db2.gz NIVHFLWHYGNLCO-QGHHPUGFSA-N -1 3 376.438 2.262 40 0 GEABHM CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000257245107 212010041 /nfs/dbraw/zinc/01/00/41/212010041.db2.gz IOBYRHAIHSDFLH-OAQYLSRUSA-N -1 3 387.455 2.416 40 0 GEABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1cccs1)C3 ZINC000019962280 210310635 /nfs/dbraw/zinc/31/06/35/210310635.db2.gz QKAUYZDSZIUWFD-LLVKDONJSA-N -1 3 385.445 2.096 40 0 GEABHM CN(C)CC(=O)N1CCc2nc([C@H]3CCCN3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019581789 210270976 /nfs/dbraw/zinc/27/09/76/210270976.db2.gz VJQRWVJBWQMVQL-GOSISDBHSA-N -1 3 387.528 2.098 40 0 GEABHM Cc1nn(C)cc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C)n1 ZINC000019583582 210269699 /nfs/dbraw/zinc/26/96/99/210269699.db2.gz UZUYMABBJMWRRQ-GOSISDBHSA-N -1 3 390.447 2.315 40 0 GEABHM COc1cccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)c1 ZINC000019590256 210273262 /nfs/dbraw/zinc/27/32/62/210273262.db2.gz LHYJOTMBGNWFTJ-INIZCTEOSA-N -1 3 396.491 2.127 40 0 GEABHM CC(=O)OCc1ccc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)o1 ZINC000012122045 221154105 /nfs/dbraw/zinc/15/41/05/221154105.db2.gz YZKXZHXVCUBTSQ-UHFFFAOYSA-N -1 3 380.404 2.459 40 0 GEABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1 ZINC000020800157 570281300 /nfs/dbraw/zinc/28/13/00/570281300.db2.gz HMIYWVUCTFPWJP-AWEZNQCLSA-N -1 3 381.436 2.133 40 0 GEABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000216492311 570302547 /nfs/dbraw/zinc/30/25/47/570302547.db2.gz YNITZWWPGIFALS-UHFFFAOYSA-N -1 3 384.461 2.482 40 0 GEABHM CCOc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000225077871 570547432 /nfs/dbraw/zinc/54/74/32/570547432.db2.gz MDMYKGLJLTXMIE-UHFFFAOYSA-N -1 3 384.483 2.010 40 0 GEABHM CCc1c(C)nc(NC2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)[n-]c1=O ZINC000012114049 570609524 /nfs/dbraw/zinc/60/95/24/570609524.db2.gz CENCMGKFTIMVER-UHFFFAOYSA-N -1 3 383.496 2.423 40 0 GEABHM O=C(c1ccc2c(c1)OCO2)N1CCC(Nc2nc3c(c(=O)[n-]2)CCCC3)CC1 ZINC000012113691 570609751 /nfs/dbraw/zinc/60/97/51/570609751.db2.gz XTGFVLGDNWPCNV-UHFFFAOYSA-N -1 3 396.447 2.094 40 0 GEABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1 ZINC000040388772 570742849 /nfs/dbraw/zinc/74/28/49/570742849.db2.gz OYNZPDILPAXLGT-ZFWWWQNUSA-N -1 3 395.463 2.379 40 0 GEABHM C[C@@H](c1cc(=O)[n-]c(NCCc2ccccn2)n1)n1ncc2ccccc2c1=O ZINC000019717451 571039897 /nfs/dbraw/zinc/03/98/97/571039897.db2.gz HXNPVAGWGKLFRD-AWEZNQCLSA-N -1 3 388.431 2.139 40 0 GEABHM COc1cccc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)c1OC ZINC000019568033 210265858 /nfs/dbraw/zinc/26/58/58/210265858.db2.gz SCPKHCUBJUQGIS-UHFFFAOYSA-N -1 3 378.432 2.407 40 0 GEABHM COc1cccc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c1OC ZINC000019568027 210265134 /nfs/dbraw/zinc/26/51/34/210265134.db2.gz QFCDFDXAAFWAPP-UHFFFAOYSA-N -1 3 378.432 2.407 40 0 GEABHM Cc1nn(CC(=O)N2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)c(C)c1C ZINC000019556460 210261925 /nfs/dbraw/zinc/26/19/25/210261925.db2.gz QSXWPKPNKQRHNS-SFHVURJKSA-N -1 3 392.463 2.317 40 0 GEABHM CCc1cc(=O)[n-]c([C@H]2CCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)n1 ZINC000019522477 210257279 /nfs/dbraw/zinc/25/72/79/210257279.db2.gz IXBFRNRMQQVASQ-HNNXBMFYSA-N -1 3 383.448 2.400 40 0 GEABHM CCc1cc(=O)[n-]c([C@@H]2CCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)n1 ZINC000019522476 210256557 /nfs/dbraw/zinc/25/65/57/210256557.db2.gz IXBFRNRMQQVASQ-OAHLLOKOSA-N -1 3 383.448 2.400 40 0 GEABHM CCc1c(C)nc([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)c3ccccc32)[n-]c1=O ZINC000019521569 210255102 /nfs/dbraw/zinc/25/51/02/210255102.db2.gz ZTKFFFWEXINTIU-DLBZAZTESA-N -1 3 380.448 2.179 40 0 GEABHM O=C(CCc1ccncc1)N1CC[C@H](c2nc(-c3ccccn3)cc(=O)[n-]2)C1 ZINC000019402526 210247883 /nfs/dbraw/zinc/24/78/83/210247883.db2.gz JURUORWMSJPKOD-INIZCTEOSA-N -1 3 375.432 2.176 40 0 GEABHM O=C(c1ccc(F)cc1F)N1CCc2nc(-c3ccncc3)[n-]c(=O)c2CC1 ZINC000019293056 210240238 /nfs/dbraw/zinc/24/02/38/210240238.db2.gz RLWSHFVUAHTWCN-UHFFFAOYSA-N -1 3 382.370 2.351 40 0 GEABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccnn2C)cc(=O)[n-]1 ZINC000019285160 210235725 /nfs/dbraw/zinc/23/57/25/210235725.db2.gz OYHWOJPPSWTBAR-INIZCTEOSA-N -1 3 376.420 2.007 40 0 GEABHM CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408550531 529866130 /nfs/dbraw/zinc/86/61/30/529866130.db2.gz DCZMTGJJEIXJDV-UHFFFAOYSA-N -1 3 399.266 2.375 40 0 GEABHM CCOc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 ZINC000222701012 532485394 /nfs/dbraw/zinc/48/53/94/532485394.db2.gz QRQRSMBTLUHAQM-UHFFFAOYSA-N -1 3 384.483 2.010 40 0 GEABHM O=C([O-])[C@@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000072228538 212059626 /nfs/dbraw/zinc/05/96/26/212059626.db2.gz VRKQDUNZQDQNBT-GOSISDBHSA-N -1 3 379.460 2.446 40 0 GEABHM Cc1cc(C(=O)N2CCC3(C[C@H](N(C)c4ccccc4)CO3)CC2)[n-]c(=O)n1 ZINC000257325413 212026403 /nfs/dbraw/zinc/02/64/03/212026403.db2.gz WSVCOAVXAGVROO-KRWDZBQOSA-N -1 3 382.464 2.391 40 0 GEABHM CC(C)(C)c1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)c1 ZINC000257218985 212005010 /nfs/dbraw/zinc/00/50/10/212005010.db2.gz DFDAHQSDNMVILM-ZHALLVOQSA-N -1 3 376.497 2.034 40 0 GEABHM CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)Cc1ccc(Cl)cc1 ZINC000071980393 211068257 /nfs/dbraw/zinc/06/82/57/211068257.db2.gz XTKPEUORXDULHB-INIZCTEOSA-N -1 3 380.872 2.397 40 0 GEABHM CCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000071980206 211068005 /nfs/dbraw/zinc/06/80/05/211068005.db2.gz SLDDLKTXYSLFEM-AWEZNQCLSA-N -1 3 386.370 2.443 40 0 GEABHM CCOC(=O)C1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)CC1 ZINC000020112060 210318796 /nfs/dbraw/zinc/31/87/96/210318796.db2.gz JGNAUEJRTFARQF-UHFFFAOYSA-N -1 3 388.873 2.127 40 0 GEABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(F)cc1)C3 ZINC000019821171 210300196 /nfs/dbraw/zinc/30/01/96/210300196.db2.gz DBJQVDWPIWMOPD-ZDUSSCGKSA-N -1 3 397.406 2.173 40 0 GEABHM Cc1nonc1CC(=O)N1CCC[C@@H]1c1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000019579284 210269651 /nfs/dbraw/zinc/26/96/51/210269651.db2.gz AJACMFPHPPHDFX-GOSISDBHSA-N -1 3 393.447 2.267 40 0 GEABHM COc1ccc(CN2CCc3c(=O)[n-]c(N4CCCC[C@@H]4C)nc3C2)cc1O ZINC000012184711 221163953 /nfs/dbraw/zinc/16/39/53/221163953.db2.gz NOGHUFXPIXHJSR-AWEZNQCLSA-N -1 3 384.480 2.421 40 0 GEABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccccn1 ZINC000409393767 533478922 /nfs/dbraw/zinc/47/89/22/533478922.db2.gz XSPQNRPMVMNWNU-SNVBAGLBSA-N -1 3 388.276 2.372 40 0 GEABHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1 ZINC000024256994 570381325 /nfs/dbraw/zinc/38/13/25/570381325.db2.gz PEARVWXVMVIGQE-UHFFFAOYSA-N -1 3 376.434 2.111 40 0 GEABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)c1 ZINC000027944526 570445049 /nfs/dbraw/zinc/44/50/49/570445049.db2.gz QCZWZXXESFAXFK-LBPRGKRZSA-N -1 3 397.836 2.245 40 0 GEABHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1cc(OC)c(OC)c(OC)c1 ZINC000223713302 570480658 /nfs/dbraw/zinc/48/06/58/570480658.db2.gz CJHRBYZNNYYNOX-UHFFFAOYSA-N -1 3 385.413 2.339 40 0 GEABHM O=C([O-])[C@@H]1CCCN(Cc2c(-c3ccc4c(c3)OCO4)nc3ncccn23)C1 ZINC000006740874 570491548 /nfs/dbraw/zinc/49/15/48/570491548.db2.gz LOIBWHFIFZCKDA-CQSZACIVSA-N -1 3 380.404 2.422 40 0 GEABHM O=C(C1CC1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000005769312 570664575 /nfs/dbraw/zinc/66/45/75/570664575.db2.gz SIWHMFKOBGUOAF-HNNXBMFYSA-N -1 3 378.436 2.091 40 0 GEABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388823 570743610 /nfs/dbraw/zinc/74/36/10/570743610.db2.gz BMTCFXFLDAOMAU-DZGCQCFKSA-N -1 3 395.463 2.379 40 0 GEABHM CCOc1ccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019533908 210257981 /nfs/dbraw/zinc/25/79/81/210257981.db2.gz KZLOUMQGDPHTIJ-UHFFFAOYSA-N -1 3 398.507 2.378 40 0 GEABHM COc1ccc(C=C2N[C@@H](c3ccc(NC(=O)c4nc[n-]n4)cc3)OC2=O)cc1 ZINC000019419220 210248343 /nfs/dbraw/zinc/24/83/43/210248343.db2.gz KUYQMHQZHVGARY-OUQXZNHLSA-N -1 3 391.387 2.252 40 0 GEABHM O=C(CCn1ccnc1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1 ZINC000019344301 210242051 /nfs/dbraw/zinc/24/20/51/210242051.db2.gz AWMZYILXWRKLBB-CQSZACIVSA-N -1 3 383.477 2.491 40 0 GEABHM O=C(COc1ccc(Cl)cc1Cl)[N-]N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000004363359 531513534 /nfs/dbraw/zinc/51/35/34/531513534.db2.gz UXXQFUHSXRXCPI-QTGCHDBNSA-N -1 3 381.215 2.211 40 0 GEABHM CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000257200136 212001261 /nfs/dbraw/zinc/00/12/61/212001261.db2.gz ACDSVFONQDGMOU-NRFANRHFSA-N -1 3 387.455 2.416 40 0 GEABHM COCCOc1cccc(CN2CCc3nc4cc(C)[n-]n4c(=O)c3CC2)c1 ZINC000100775125 211391247 /nfs/dbraw/zinc/39/12/47/211391247.db2.gz LQVRDUDXPAOGCJ-UHFFFAOYSA-N -1 3 382.464 2.369 40 0 GEABHM COc1ccc(CC[NH2+][C@H](C)[C@@H](O)c2ccc([N-]S(C)(=O)=O)c([O-])c2)cc1 ZINC000084758837 211176458 /nfs/dbraw/zinc/17/64/58/211176458.db2.gz UOEHIRNDXGQHLQ-BFUOFWGJSA-N -1 3 394.493 2.027 40 0 in-man GEABHM O=C(Nc1cccc(OCCN2CCOCC2)c1)c1cc(C(F)(F)F)n[n-]1 ZINC000072392184 211111099 /nfs/dbraw/zinc/11/10/99/211111099.db2.gz CCQQKSZJDBBRJA-UHFFFAOYSA-N -1 3 384.358 2.392 40 0 GEABHM O=C(Nc1cccc(OCCN2CCOCC2)c1)c1cc(C(F)(F)F)[n-]n1 ZINC000072392184 211111102 /nfs/dbraw/zinc/11/11/02/211111102.db2.gz CCQQKSZJDBBRJA-UHFFFAOYSA-N -1 3 384.358 2.392 40 0 GEABHM CCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Br)cc1 ZINC000071980192 211067185 /nfs/dbraw/zinc/06/71/85/211067185.db2.gz CDMQKEDEAZOCBP-CQSZACIVSA-N -1 3 397.269 2.187 40 0 GEABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c(C)c1 ZINC000019961262 210309974 /nfs/dbraw/zinc/30/99/74/210309974.db2.gz GDWZIKUDEMPPNT-CYBMUJFWSA-N -1 3 381.436 2.051 40 0 GEABHM COc1cc(CN2CCc3c(nc(N4CCCCC4)[n-]c3=O)C2)cc(OC)c1 ZINC000019595134 210276077 /nfs/dbraw/zinc/27/60/77/210276077.db2.gz OOGPKXIQAPKTCK-UHFFFAOYSA-N -1 3 384.480 2.336 40 0 GEABHM COCCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019593089 210274228 /nfs/dbraw/zinc/27/42/28/210274228.db2.gz GTMGGQKUPNWBCT-HNNXBMFYSA-N -1 3 388.512 2.225 40 0 GEABHM COc1ccc(CN2CCc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c3C2)cc1O ZINC000072389572 136169143 /nfs/dbraw/zinc/16/91/43/136169143.db2.gz IHRBZTRXWQKPJY-AWEZNQCLSA-N -1 3 384.480 2.279 40 0 GEABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1 ZINC000022610050 570323183 /nfs/dbraw/zinc/32/31/83/570323183.db2.gz UKFSYFDUVLZFMU-OAHLLOKOSA-N -1 3 395.463 2.379 40 0 GEABHM COC(=O)[C@]([O-])(c1ccc(N2C(=O)C3=CCC=C[C@H]3C2=O)c(C)c1)C(F)(F)F ZINC000012445870 570337895 /nfs/dbraw/zinc/33/78/95/570337895.db2.gz IRRYFWCAEKAMGR-SNUQEOBHSA-N -1 3 395.333 2.150 40 0 GEABHM COC(=O)[C@]([O-])(c1ccc(N2C(=O)C3=CCC=C[C@@H]3C2=O)c(C)c1)C(F)(F)F ZINC000105337178 570426662 /nfs/dbraw/zinc/42/66/62/570426662.db2.gz IRRYFWCAEKAMGR-ZJNRKIDTSA-N -1 3 395.333 2.150 40 0 GEABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)cc1 ZINC000223246041 570452728 /nfs/dbraw/zinc/45/27/28/570452728.db2.gz QNEIQWXWABWUFD-UHFFFAOYSA-N -1 3 378.450 2.271 40 0 GEABHM CNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000223276072 570455260 /nfs/dbraw/zinc/45/52/60/570455260.db2.gz BXPCNHRQSZUHDI-UHFFFAOYSA-N -1 3 399.266 2.375 40 0 GEABHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(CN2CCOCC2)cc1 ZINC000224585906 570519367 /nfs/dbraw/zinc/51/93/67/570519367.db2.gz ZWSZWJJCFKFXTM-UHFFFAOYSA-N -1 3 394.468 2.145 40 0 GEABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)ccc1OC ZINC000010008879 570564505 /nfs/dbraw/zinc/56/45/05/570564505.db2.gz PHHSGXCRMDPPSR-UHFFFAOYSA-N -1 3 394.449 2.263 40 0 GEABHM O=C(COc1ccc(Cl)cc1Cl)[N-]N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000001295292 570565870 /nfs/dbraw/zinc/56/58/70/570565870.db2.gz UXXQFUHSXRXCPI-XRQRDNCTSA-N -1 3 381.215 2.211 40 0 GEABHM COc1ccc2c(c1)C=C(CN1CCc3nc(N4CCCC4)[n-]c(=O)c3C1)CO2 ZINC000012145351 570616333 /nfs/dbraw/zinc/61/63/33/570616333.db2.gz FXWIWDSCQSTQAM-UHFFFAOYSA-N -1 3 394.475 2.213 40 0 GEABHM COc1ccc(NC(=O)C(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000004199534 570622951 /nfs/dbraw/zinc/62/29/51/570622951.db2.gz COGLNCPMMMACHM-LRDDRELGSA-N -1 3 385.342 2.273 40 0 GEABHM COc1ccc(NC(=O)C(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000004199526 570622993 /nfs/dbraw/zinc/62/29/93/570622993.db2.gz COGLNCPMMMACHM-WBMJQRKESA-N -1 3 385.342 2.273 40 0 GEABHM COc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2ccccc2F)cn1 ZINC000225922634 570633493 /nfs/dbraw/zinc/63/34/93/570633493.db2.gz IJFGELBJTXUATJ-UHFFFAOYSA-N -1 3 381.429 2.066 40 0 GEABHM C[C@H](Oc1ccccc1)c1nnc(SCC(=O)[N-]C2=NCCS2)n1C ZINC000004998952 570650532 /nfs/dbraw/zinc/65/05/32/570650532.db2.gz FBMQMXLEEHXCDW-NSHDSACASA-N -1 3 377.495 2.266 40 0 GEABHM COc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225149055 231033409 /nfs/dbraw/zinc/03/34/09/231033409.db2.gz AQLZSMHVJPPLRV-UHFFFAOYSA-N -1 3 384.483 2.010 40 0 GEABHM COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000409379454 231197625 /nfs/dbraw/zinc/19/76/25/231197625.db2.gz XUJSFOVDIWYROB-UHFFFAOYSA-N -1 3 392.477 2.246 40 0 GEABHM O=C([O-])c1[nH]c(=O)n(-c2ccc(Cl)cc2Cl)c(=O)c1CN1CCCC1 ZINC000222668981 532484947 /nfs/dbraw/zinc/48/49/47/532484947.db2.gz WMGVMAYFBMEEAE-UHFFFAOYSA-N -1 3 384.219 2.127 40 0 GEABHM O=C1N[C@@H](c2ccc(O)cc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004183832 220692095 /nfs/dbraw/zinc/69/20/95/220692095.db2.gz XARPOSJFZZXPCU-JKIFEVAISA-N -1 3 380.322 2.496 40 0 GEABHM COc1ccc(CN2CCc3c(=O)[n-]c(N4CCC(C)CC4)nc3C2)cc1CO ZINC000012184811 221164315 /nfs/dbraw/zinc/16/43/15/221164315.db2.gz WJAADTYDVASQSZ-UHFFFAOYSA-N -1 3 398.507 2.065 40 0 GEABHM CCCc1nc2c(nnn2C2CCN(C(=O)c3cccc(F)c3)CC2)c(=O)[n-]1 ZINC000012242170 221173044 /nfs/dbraw/zinc/17/30/44/221173044.db2.gz UFURFMJXJMYHCO-UHFFFAOYSA-N -1 3 384.415 2.496 40 0 GEABHM O=C1C[C@@H](c2cc(=O)[n-]c(NCc3ccc(F)cc3)n2)CN1Cc1ccccn1 ZINC000019401482 221412075 /nfs/dbraw/zinc/41/20/75/221412075.db2.gz MRQRBOHYYCTSIF-OAHLLOKOSA-N -1 3 393.422 2.432 40 0 GEABHM CSCC[C@H](NC(=O)c1cccnc1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019574006 221428900 /nfs/dbraw/zinc/42/89/00/221428900.db2.gz RSKZTKWOJPJKDC-HNNXBMFYSA-N -1 3 381.461 2.451 40 0 GEABHM COc1ccc(CN2CCc3c(=O)[n-]c(N4CCC[C@H](C)C4)nc3C2)cc1CO ZINC000072347342 136168929 /nfs/dbraw/zinc/16/89/29/136168929.db2.gz QXRCMBKOSBMMPI-HNNXBMFYSA-N -1 3 398.507 2.478 40 0 GEABHM O=c1[n-]c(N2CCCCC2)nc2c1CCN(Cc1ccc3nccnc3c1)C2 ZINC000072389555 136169156 /nfs/dbraw/zinc/16/91/56/136169156.db2.gz ITVZQLVRAHAVRZ-UHFFFAOYSA-N -1 3 376.464 2.262 40 0 GEABHM CN1CCN(c2ccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)cc2)CC1 ZINC000096589050 136187315 /nfs/dbraw/zinc/18/73/15/136187315.db2.gz KUMNWGHPVKZBQV-UHFFFAOYSA-N -1 3 388.493 2.062 40 0 GEABHM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cc1 ZINC000113969901 136192143 /nfs/dbraw/zinc/19/21/43/136192143.db2.gz SNLQQLXZNQIWHM-UHFFFAOYSA-N -1 3 379.457 2.387 40 0 GEABHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)O)c(Br)cc1Br ZINC000054363446 222014322 /nfs/dbraw/zinc/01/43/22/222014322.db2.gz DGGLYHCIJFSCFH-ZETCQYMHSA-N -1 3 387.093 2.179 40 0 GEABHM COc1ccc(CN2CCc3nc(N4CCCCCC4)[n-]c(=O)c3C2)cc1O ZINC000072389584 222247322 /nfs/dbraw/zinc/24/73/22/222247322.db2.gz ATYMBHVLGBFEFS-UHFFFAOYSA-N -1 3 384.480 2.423 40 0 GEABHM CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCCCC3)[n-]c2=O)C1 ZINC000072399106 222253508 /nfs/dbraw/zinc/25/35/08/222253508.db2.gz UUGZTYWGCDKJBZ-SFHVURJKSA-N -1 3 386.496 2.308 40 0 GEABHM Cc1[n-][nH]c(=O)c1CCC(=O)N1CCc2onc(Nc3ccccc3F)c2C1 ZINC000100744956 570276295 /nfs/dbraw/zinc/27/62/95/570276295.db2.gz BXZRQQFKAHIXTC-LBPRGKRZSA-N -1 3 385.399 2.344 40 0 GEABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c(C)c1 ZINC000020800198 570281317 /nfs/dbraw/zinc/28/13/17/570281317.db2.gz BZCMZRCHAPCXJZ-AWEZNQCLSA-N -1 3 395.463 2.442 40 0 GEABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c1 ZINC000040390673 570599948 /nfs/dbraw/zinc/59/99/48/570599948.db2.gz YUIKXOIQJAICDY-ZDUSSCGKSA-N -1 3 381.436 2.051 40 0 GEABHM CN(C)c1nc([C@H]2CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)cc(=O)[n-]1 ZINC000012406511 570653917 /nfs/dbraw/zinc/65/39/17/570653917.db2.gz PJUXZYMTEGUGJF-INIZCTEOSA-N -1 3 396.491 2.313 40 0 GEABHM O=C(C1CC1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000005769289 570664524 /nfs/dbraw/zinc/66/45/24/570664524.db2.gz QJAYJZHVPUXEMY-UHFFFAOYSA-N -1 3 378.436 2.091 40 0 GEABHM CCc1[nH]nc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c([nH]c(=O)[n-]c2=O)O3)c1C ZINC000257231315 570765036 /nfs/dbraw/zinc/76/50/36/570765036.db2.gz GGDJOLZDXIVZMA-WYRIXSBYSA-N -1 3 387.440 2.091 40 0 GEABHM COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC000257257820 570771598 /nfs/dbraw/zinc/77/15/98/570771598.db2.gz KRFGYKYXIXEJBH-JOCHJYFZSA-N -1 3 399.491 2.285 40 0 GEABHM C[C@@H](C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1)c1ccccc1 ZINC000019459190 570988101 /nfs/dbraw/zinc/98/81/01/570988101.db2.gz BLEYJRJYYUUGSF-NVXWUHKLSA-N -1 3 380.492 2.268 40 0 GEABHM CCC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccccc2OC)C3)C1 ZINC000019498512 570990711 /nfs/dbraw/zinc/99/07/11/570990711.db2.gz DKSUIEBRGWRPRK-MRXNPFEDSA-N -1 3 396.491 2.063 40 0 GEABHM CCc1c(C)nc([C@H]2CCCN2C(=O)CCN2Cc3ccccc3C2=O)[n-]c1=O ZINC000019521573 570994657 /nfs/dbraw/zinc/99/46/57/570994657.db2.gz AYJXNABTMDVRFF-GOSISDBHSA-N -1 3 394.475 2.350 40 0 GEABHM Cc1nn(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)c(C)c1C ZINC000019556458 571003616 /nfs/dbraw/zinc/00/36/16/571003616.db2.gz QSXWPKPNKQRHNS-GOSISDBHSA-N -1 3 392.463 2.317 40 0 GEABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 ZINC000223287895 222630575 /nfs/dbraw/zinc/63/05/75/222630575.db2.gz LWNXJSXEWTXKDL-UHFFFAOYSA-N -1 3 390.417 2.158 40 0 GEABHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000011699805 221123639 /nfs/dbraw/zinc/12/36/39/221123639.db2.gz ACLPREFVUOCDFS-GFCCVEGCSA-N -1 3 376.434 2.320 40 0 GEABHM COc1ccc2c(c1)C=C(CN1CCc3c(=O)[n-]c(N4CCCC4)nc3C1)CO2 ZINC000012142739 221159307 /nfs/dbraw/zinc/15/93/07/221159307.db2.gz NGBHIDZVBCDBSP-UHFFFAOYSA-N -1 3 394.475 2.213 40 0 GEABHM O=C(C1CC1)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)C3CCCC3)nc2C1 ZINC000019014542 221394298 /nfs/dbraw/zinc/39/42/98/221394298.db2.gz JIKUDJHHARSPIG-GOSISDBHSA-N -1 3 398.507 2.308 40 0 GEABHM CCOc1cc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)ccc1O ZINC000019531855 221423658 /nfs/dbraw/zinc/42/36/58/221423658.db2.gz RETRDYVGHMKVRH-UHFFFAOYSA-N -1 3 378.432 2.495 40 0 GEABHM O=c1[n-]c(N2CCCCC2)nc2c1CCN(Cc1cccc3nccnc13)C2 ZINC000072347214 136168788 /nfs/dbraw/zinc/16/87/88/136168788.db2.gz MUEZGEDUPOGPPF-UHFFFAOYSA-N -1 3 376.464 2.262 40 0 GEABHM COc1cccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[n-]c3=O)C2)c1 ZINC000072347182 136168869 /nfs/dbraw/zinc/16/88/69/136168869.db2.gz CPIMSNSDRDRTQF-HUUCEWRRSA-N -1 3 384.480 2.363 40 0 GEABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1 ZINC000065912703 222134821 /nfs/dbraw/zinc/13/48/21/222134821.db2.gz HGUBYCHOTDNLNW-UHFFFAOYSA-N -1 3 378.435 2.100 40 0 GEABHM Cc1cc(=O)[n-]c(NC(=O)CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000019719783 570210941 /nfs/dbraw/zinc/21/09/41/570210941.db2.gz YWHWOLQXVHNNSG-CQSZACIVSA-N -1 3 380.452 2.260 40 0 GEABHM CCCn1nnc(NC(=S)[N-]C(=O)COc2ccc(C(C)(C)C)cc2)n1 ZINC000006593863 570484471 /nfs/dbraw/zinc/48/44/71/570484471.db2.gz ZIUOYPSSKLIIHO-UHFFFAOYSA-N -1 3 376.486 2.273 40 0 GEABHM O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21 ZINC000575404350 570520525 /nfs/dbraw/zinc/52/05/25/570520525.db2.gz NDAJYYAOYVGGSR-KRWDZBQOSA-N -1 3 382.445 2.164 40 0 GEABHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1cccc(CN2CCOCC2)c1 ZINC000224752698 570529240 /nfs/dbraw/zinc/52/92/40/570529240.db2.gz LNVMPNGRQZWZMC-UHFFFAOYSA-N -1 3 394.468 2.145 40 0 GEABHM C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2)CC(=O)N3)C1 ZINC000040388768 570599601 /nfs/dbraw/zinc/59/96/01/570599601.db2.gz BBFFCYJMLQFKQB-JSGCOSHPSA-N -1 3 381.436 2.071 40 0 GEABHM CC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C[C@H](CO)C1 ZINC000257292782 570777034 /nfs/dbraw/zinc/77/70/34/570777034.db2.gz QMYGJONTDLYMNE-SFHVURJKSA-N -1 3 382.460 2.324 40 0 GEABHM CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000257306981 570778918 /nfs/dbraw/zinc/77/89/18/570778918.db2.gz SWUDMLRFFTYQJO-MRXNPFEDSA-N -1 3 393.447 2.119 40 0 GEABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000016293323 570921538 /nfs/dbraw/zinc/92/15/38/570921538.db2.gz ZUIROESVUAQVLK-OAHLLOKOSA-N -1 3 392.477 2.326 40 0 GEABHM Cc1ccccc1CC(=O)N1CCC(c2nc3c(c(=O)[n-]2)CN(C)CC3)CC1 ZINC000019237041 570966788 /nfs/dbraw/zinc/96/67/88/570966788.db2.gz GGAYNTVBJFXVJF-UHFFFAOYSA-N -1 3 380.492 2.015 40 0 GEABHM CCOC(=O)[C@H]1[C@H](c2ccc(OC(F)F)cc2)NC(=O)[N-][C@]1(O)C(F)(F)F ZINC000004387396 570973490 /nfs/dbraw/zinc/97/34/90/570973490.db2.gz BQZLQFWSSMGXOK-ISTVAULSSA-N -1 3 398.284 2.072 40 0 GEABHM C[C@H](CC(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1)n1cncn1 ZINC000019455234 570987250 /nfs/dbraw/zinc/98/72/50/570987250.db2.gz OJQRHENIORAQKL-KGLIPLIRSA-N -1 3 398.492 2.447 40 0 GEABHM C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cc(=O)[n-]c(N2CCC(C)CC2)n1 ZINC000019497014 570989906 /nfs/dbraw/zinc/98/99/06/570989906.db2.gz LSCLLZLJCUGUBA-ZDUSSCGKSA-N -1 3 384.436 2.226 40 0 GEABHM CCc1c(C)nc([C@@H]2CCCN2C(=O)CCN2Cc3ccccc3C2=O)[n-]c1=O ZINC000019521572 570994623 /nfs/dbraw/zinc/99/46/23/570994623.db2.gz AYJXNABTMDVRFF-SFHVURJKSA-N -1 3 394.475 2.350 40 0 GEABHM Cc1ncc(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c(C)n1 ZINC000019552414 571001576 /nfs/dbraw/zinc/00/15/76/571001576.db2.gz ZGHRUQICPQCULD-UHFFFAOYSA-N -1 3 396.476 2.320 40 0 GEABHM CN(C)CCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020487083 531582120 /nfs/dbraw/zinc/58/21/20/531582120.db2.gz OTCLEZKZSZJROY-UHFFFAOYSA-N -1 3 381.885 2.432 40 0 GEABHM CCOC(=O)C1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1 ZINC000030848262 531640476 /nfs/dbraw/zinc/64/04/76/531640476.db2.gz UCDHWUZBFPURNL-UHFFFAOYSA-N -1 3 388.873 2.127 40 0 GEABHM CC(C)CCn1c2n[n-]c(=O)n2c2cc(C(=O)NC3CCCCC3)ccc2c1=O ZINC000013363169 221266688 /nfs/dbraw/zinc/26/66/88/221266688.db2.gz PWRDPVDCZFHNRD-UHFFFAOYSA-N -1 3 397.479 2.446 40 0 GEABHM Cc1cc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)sc1C ZINC000019124711 221397513 /nfs/dbraw/zinc/39/75/13/221397513.db2.gz ISSXFWCMSQJJMC-CQSZACIVSA-N -1 3 386.521 2.456 40 0 GEABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1cccnc1 ZINC000409388244 533479704 /nfs/dbraw/zinc/47/97/04/533479704.db2.gz CPGZOOIUWZTHIP-SNVBAGLBSA-N -1 3 388.276 2.372 40 0 GEABHM COc1ccc(CN2CCc3c(=O)[n-]c(N4CCCCC4)nc3C2)cc1CO ZINC000072389549 136169283 /nfs/dbraw/zinc/16/92/83/136169283.db2.gz NVLKMTYNDSGKKI-UHFFFAOYSA-N -1 3 384.480 2.232 40 0 GEABHM CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)Cc1ccc(Cl)cc1 ZINC000071980394 222202475 /nfs/dbraw/zinc/20/24/75/222202475.db2.gz XTKPEUORXDULHB-MRXNPFEDSA-N -1 3 380.872 2.397 40 0 GEABHM CCOCCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409392626 528686781 /nfs/dbraw/zinc/68/67/81/528686781.db2.gz SIKGUNYQBWVTJT-JTQLQIEISA-N -1 3 383.297 2.203 40 0 GEABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(F)cc1)C3 ZINC000019821169 570222984 /nfs/dbraw/zinc/22/29/84/570222984.db2.gz DBJQVDWPIWMOPD-CYBMUJFWSA-N -1 3 397.406 2.173 40 0 GEABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c(C)c1 ZINC000019961267 570233598 /nfs/dbraw/zinc/23/35/98/570233598.db2.gz GDWZIKUDEMPPNT-ZDUSSCGKSA-N -1 3 381.436 2.051 40 0 GEABHM Cc1cc(Cl)ccc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCCC2)c1=O ZINC000222667261 570419597 /nfs/dbraw/zinc/41/95/97/570419597.db2.gz XNFFFZBRXFVZKQ-UHFFFAOYSA-N -1 3 377.828 2.172 40 0 GEABHM Cc1c(Cl)cccc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCCC2)c1=O ZINC000222666807 570419624 /nfs/dbraw/zinc/41/96/24/570419624.db2.gz WOJZQJTYMIHWMD-UHFFFAOYSA-N -1 3 377.828 2.172 40 0 GEABHM CCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000005642754 570449815 /nfs/dbraw/zinc/44/98/15/570449815.db2.gz LWMSMRVKIXWACM-UHFFFAOYSA-N -1 3 380.452 2.481 40 0 GEABHM CCCn1nnnc1NC(=S)[N-]C(=O)COc1cc(C)ccc1C(C)C ZINC000006462579 570480791 /nfs/dbraw/zinc/48/07/91/570480791.db2.gz DLXRVLNEYIQUDO-UHFFFAOYSA-N -1 3 376.486 2.407 40 0 GEABHM COc1ccccc1-c1cc(=O)[n-]c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000014608510 570894030 /nfs/dbraw/zinc/89/40/30/570894030.db2.gz WROVMRQEXLFJRD-UHFFFAOYSA-N -1 3 380.404 2.001 40 0 GEABHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCOCC1 ZINC000015420803 570906264 /nfs/dbraw/zinc/90/62/64/570906264.db2.gz VZRXTBJDGBEHCW-UHFFFAOYSA-N -1 3 378.425 2.407 40 0 GEABHM Cc1nc(C)n(CC(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)n1 ZINC000019285721 570969722 /nfs/dbraw/zinc/96/97/22/570969722.db2.gz SPZZBAAFAQNRKE-AWEZNQCLSA-N -1 3 398.492 2.113 40 0 GEABHM CCc1c(C)nc([C@@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc32)[n-]c1=O ZINC000019521570 570994597 /nfs/dbraw/zinc/99/45/97/570994597.db2.gz ZTKFFFWEXINTIU-SJORKVTESA-N -1 3 380.448 2.179 40 0 GEABHM CCc1cc(=O)[n-]c([C@@H]2CCCN2C(=O)COc2c(OC)cccc2OC)n1 ZINC000019522534 570995434 /nfs/dbraw/zinc/99/54/34/570995434.db2.gz LHQCAGSKZYJBBG-AWEZNQCLSA-N -1 3 387.436 2.092 40 0 GEABHM CCOc1cc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019532109 570999111 /nfs/dbraw/zinc/99/91/11/570999111.db2.gz CSQBEPRCQQYDAN-UHFFFAOYSA-N -1 3 398.507 2.378 40 0 GEABHM CCOc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)cc1OC ZINC000019533885 570999620 /nfs/dbraw/zinc/99/96/20/570999620.db2.gz KRXQUBSLKVKTPQ-UHFFFAOYSA-N -1 3 393.447 2.193 40 0 GEABHM COc1cccc(CN2CC[C@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c1OC ZINC000019567616 571008913 /nfs/dbraw/zinc/00/89/13/571008913.db2.gz OKHKEBXOYUMIMN-HNNXBMFYSA-N -1 3 384.480 2.377 40 0 GEABHM CN1CCc2nc([C@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)[n-]c(=O)c2C1 ZINC000019590266 571017041 /nfs/dbraw/zinc/01/70/41/571017041.db2.gz AOICLUSQIHEGTR-ZDUSSCGKSA-N -1 3 383.452 2.055 40 0 GEABHM CN1CCc2nc([C@@H]3CCCN(C(=O)Cc4ccccc4F)C3)[n-]c(=O)c2C1 ZINC000019590257 571017172 /nfs/dbraw/zinc/01/71/72/571017172.db2.gz ZWSBXLXURQVOKJ-OAHLLOKOSA-N -1 3 384.455 2.258 40 0 GEABHM C[C@H](c1cc(=O)[n-]c(NCCc2ccncc2)n1)n1ncc2ccccc2c1=O ZINC000019717501 571039940 /nfs/dbraw/zinc/03/99/40/571039940.db2.gz NOTKXTDNOSGOFU-CQSZACIVSA-N -1 3 388.431 2.139 40 0 GEABHM C[C@H](c1cc(=O)[n-]c(NC[C@@]2(C)CCCO2)n1)n1ncc2ccccc2c1=O ZINC000019717492 571040112 /nfs/dbraw/zinc/04/01/12/571040112.db2.gz ATPHJPUXJRIZKB-ZUOKHONESA-N -1 3 381.436 2.070 40 0 GEABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408595631 231073141 /nfs/dbraw/zinc/07/31/41/231073141.db2.gz SKTCLTFMLWPCFO-ZDUSSCGKSA-N -1 3 396.440 2.156 40 0 GEABHM CN(C)S(=O)(=O)c1nnc([N-]C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000223331265 222629693 /nfs/dbraw/zinc/62/96/93/222629693.db2.gz PNIFJHHULDPOIU-UHFFFAOYSA-N -1 3 381.266 2.348 40 0 GEABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c1 ZINC000027931048 531626496 /nfs/dbraw/zinc/62/64/96/531626496.db2.gz MOJCXJKOYBTZRB-UHFFFAOYSA-N -1 3 383.809 2.334 40 0 GEABHM Cc1nc2c(nnn2C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(=O)[n-]1 ZINC000012336940 221182799 /nfs/dbraw/zinc/18/27/99/221182799.db2.gz JSDZNRPEVUZXQS-UHFFFAOYSA-N -1 3 391.435 2.123 40 0 GEABHM COc1ccc(CN2CCc3c(=O)[n-]c(N4CCCC[C@H]4C)nc3C2)cc1O ZINC000072347319 136168760 /nfs/dbraw/zinc/16/87/60/136168760.db2.gz NOGHUFXPIXHJSR-CQSZACIVSA-N -1 3 384.480 2.421 40 0 GEABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cc(F)ccc2F)C3)C[C@H](C)O1 ZINC000072347295 136168762 /nfs/dbraw/zinc/16/87/62/136168762.db2.gz OPINKMDPHFRZHM-BETUJISGSA-N -1 3 390.434 2.220 40 0 GEABHM COc1ccc(CN2CCc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c3C2)cc1O ZINC000072389571 136169123 /nfs/dbraw/zinc/16/91/23/136169123.db2.gz IHRBZTRXWQKPJY-CQSZACIVSA-N -1 3 384.480 2.279 40 0 GEABHM CCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccccc1C(F)(F)F ZINC000071980232 222203028 /nfs/dbraw/zinc/20/30/28/222203028.db2.gz MJIZHHHSFDEUBR-AWEZNQCLSA-N -1 3 386.370 2.443 40 0 GEABHM COc1ccccc1NC(=O)C(=O)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000409347948 534164959 /nfs/dbraw/zinc/16/49/59/534164959.db2.gz PDPBBZCEZCZKFK-MGPLVRAMSA-N -1 3 385.342 2.273 40 0 GEABHM COc1ccccc1Cn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 ZINC000019818782 570221966 /nfs/dbraw/zinc/22/19/66/570221966.db2.gz GEXDPJXXMLNRRJ-UHFFFAOYSA-N -1 3 379.416 2.297 40 0 GEABHM Cc1[n-][nH]c(=O)c1CCC(=O)N1CCc2onc(Nc3ccccc3F)c2C1 ZINC000100744955 570276239 /nfs/dbraw/zinc/27/62/39/570276239.db2.gz BXZRQQFKAHIXTC-GFCCVEGCSA-N -1 3 385.399 2.344 40 0 GEABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1 ZINC000022609894 570323169 /nfs/dbraw/zinc/32/31/69/570323169.db2.gz FRRGGUQMDCNOOA-HNNXBMFYSA-N -1 3 395.463 2.387 40 0 GEABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(c2)OCCO3)c1 ZINC000027949859 570445627 /nfs/dbraw/zinc/44/56/27/570445627.db2.gz QVCKUTAFRDUASB-UHFFFAOYSA-N -1 3 397.836 2.376 40 0 GEABHM Nc1ccc(Sc2ccc([N-]S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000040166395 570562975 /nfs/dbraw/zinc/56/29/75/570562975.db2.gz YUILMVJIOXXGHV-INIZCTEOSA-N -1 3 398.531 2.349 40 0 GEABHM Nc1ccc(Sc2ccc([N-]S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000040166394 570563131 /nfs/dbraw/zinc/56/31/31/570563131.db2.gz YUILMVJIOXXGHV-MRXNPFEDSA-N -1 3 398.531 2.349 40 0 GEABHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257292350 570777038 /nfs/dbraw/zinc/77/70/38/570777038.db2.gz QLCATNGGTNRDFP-AWEZNQCLSA-N -1 3 380.404 2.486 40 0 GEABHM COc1ccc(-c2cc(=O)[n-]c(N3CCN(C(=O)c4ccco4)CC3)n2)cc1 ZINC000014606948 570893258 /nfs/dbraw/zinc/89/32/58/570893258.db2.gz LSLXTTSFLPUJDD-UHFFFAOYSA-N -1 3 380.404 2.001 40 0 GEABHM CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)CC1 ZINC000257332113 570909457 /nfs/dbraw/zinc/90/94/57/570909457.db2.gz XVUUOIARIWWSBI-BZUAXINKSA-N -1 3 388.512 2.081 40 0 GEABHM Cc1cnn(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019239930 570968744 /nfs/dbraw/zinc/96/87/44/570968744.db2.gz ILBGDISFQIKTLZ-GOSISDBHSA-N -1 3 390.447 2.165 40 0 GEABHM O=C(c1cccnc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)C1 ZINC000019337353 570976423 /nfs/dbraw/zinc/97/64/23/570976423.db2.gz NDNFPZSAEYIUTL-INIZCTEOSA-N -1 3 393.491 2.095 40 0 GEABHM CCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccccc2OC)C3)C1 ZINC000019498513 570990917 /nfs/dbraw/zinc/99/09/17/570990917.db2.gz DKSUIEBRGWRPRK-INIZCTEOSA-N -1 3 396.491 2.063 40 0 GEABHM Cc1cc(C)n(CCC(=O)N2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[n-]2)n1 ZINC000019573875 571011268 /nfs/dbraw/zinc/01/12/68/571011268.db2.gz FHBIVLWXJKKIOR-GOSISDBHSA-N -1 3 392.463 2.399 40 0 GEABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000020111068 531578938 /nfs/dbraw/zinc/57/89/38/531578938.db2.gz SITLVCYYGCAWRN-UHFFFAOYSA-N -1 3 379.825 2.310 40 0 GEABHM Cc1nc2c(nnn2C[C@@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)c(=O)[n-]1 ZINC000012085027 221148463 /nfs/dbraw/zinc/14/84/63/221148463.db2.gz UEKBMKOEYRHPON-LLVKDONJSA-N -1 3 388.378 2.066 40 0 GEABHM CCc1c(C)nc(NC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)[n-]c1=O ZINC000012114048 221151916 /nfs/dbraw/zinc/15/19/16/221151916.db2.gz YHZPPQROOZKAEB-UHFFFAOYSA-N -1 3 383.496 2.423 40 0 GEABHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCc2c(=O)[n-]c(C)nc2C1 ZINC000012143186 221159009 /nfs/dbraw/zinc/15/90/09/221159009.db2.gz HWBDGOXDNCRUTP-UHFFFAOYSA-N -1 3 377.448 2.138 40 0 GEABHM Cc1nc2c(nnn2C[C@H]2CCCN2C(=O)Cc2ccccc2Cl)c(=O)[n-]1 ZINC000012337194 221184012 /nfs/dbraw/zinc/18/40/12/221184012.db2.gz HMBCKDFXROQFKL-CYBMUJFWSA-N -1 3 386.843 2.122 40 0 GEABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1 ZINC000022610055 570323064 /nfs/dbraw/zinc/32/30/64/570323064.db2.gz UKFSYFDUVLZFMU-HNNXBMFYSA-N -1 3 395.463 2.379 40 0 GEABHM COc1ccccc1[C@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000223200167 570449325 /nfs/dbraw/zinc/44/93/25/570449325.db2.gz XNKDRKYMMFRVKL-JTQLQIEISA-N -1 3 384.483 2.181 40 0 GEABHM O=C([O-])[C@H]1CCCN(Cc2c(-c3ccc4c(c3)OCO4)nc3ncccn23)C1 ZINC000006740873 570491634 /nfs/dbraw/zinc/49/16/34/570491634.db2.gz LOIBWHFIFZCKDA-AWEZNQCLSA-N -1 3 380.404 2.422 40 0 GEABHM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)c1 ZINC000007109234 570500974 /nfs/dbraw/zinc/50/09/74/570500974.db2.gz GYAOCVYTGPHETB-UHFFFAOYSA-N -1 3 391.493 2.256 40 0 GEABHM CC(C)(C)c1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)no1 ZINC000006680866 570674753 /nfs/dbraw/zinc/67/47/53/570674753.db2.gz ZHKZGAKWXNSWIX-UHFFFAOYSA-N -1 3 399.494 2.307 40 0 GEABHM O=C(C[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)NC1CC(F)(F)C1 ZINC000585095681 570922048 /nfs/dbraw/zinc/92/20/48/570922048.db2.gz BDVQRYCXXXPZSH-OAHLLOKOSA-N -1 3 390.390 2.090 40 0 GEABHM CCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000019498517 570990815 /nfs/dbraw/zinc/99/08/15/570990815.db2.gz UFHDKHHZTCCOPP-INIZCTEOSA-N -1 3 396.491 2.475 40 0 GEABHM CCc1nn(C)c(C(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)c1C ZINC000019521002 570994162 /nfs/dbraw/zinc/99/41/62/570994162.db2.gz JOUQYBSORQLDLS-HNNXBMFYSA-N -1 3 392.463 2.066 40 0 GEABHM CCc1onc(C)c1C(=O)N1CC[C@@H](c2nc(-c3cccnc3)cc(=O)[n-]2)C1 ZINC000019521084 570994393 /nfs/dbraw/zinc/99/43/93/570994393.db2.gz QAKFIAUKOLBGQY-CQSZACIVSA-N -1 3 379.420 2.320 40 0 GEABHM CCc1noc(C)c1C(=O)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000019521188 570994654 /nfs/dbraw/zinc/99/46/54/570994654.db2.gz HXFUBKAYJWVKCK-AWEZNQCLSA-N -1 3 379.420 2.320 40 0 GEABHM COc1ccc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)c(OC)c1 ZINC000019552466 571001309 /nfs/dbraw/zinc/00/13/09/571001309.db2.gz BUBTWPAUOPYWDD-UHFFFAOYSA-N -1 3 378.432 2.407 40 0 GEABHM COc1cccc(OC)c1CN1CC[C@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000019567005 571008109 /nfs/dbraw/zinc/00/81/09/571008109.db2.gz WZAWMYGQPKTFDS-HNNXBMFYSA-N -1 3 384.480 2.377 40 0 GEABHM CO[C@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)C1 ZINC000019590220 571017128 /nfs/dbraw/zinc/01/71/28/571017128.db2.gz XEVRRHKSVUXLER-OAGGEKHMSA-N -1 3 388.512 2.081 40 0 GEABHM CCc1cc(C(=O)NCC(C)(C)c2ccccc2F)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019714560 571036174 /nfs/dbraw/zinc/03/61/74/571036174.db2.gz RGTTWPADNWIVKW-UHFFFAOYSA-N -1 3 398.438 2.031 40 0 GEABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCCc1ccccc1 ZINC000408610835 231079727 /nfs/dbraw/zinc/07/97/27/231079727.db2.gz UOYFNUMIJLZZKW-CYBMUJFWSA-N -1 3 396.896 2.374 40 0 GEABHM O=C(N1CCC(Nc2nc3c(c(=O)[n-]2)CCC3)CC1)C1(c2ccccc2)CC1 ZINC000012113688 221152045 /nfs/dbraw/zinc/15/20/45/221152045.db2.gz KSWMIDOFVNLQCJ-UHFFFAOYSA-N -1 3 378.476 2.393 40 0 GEABHM COc1cc(CN2CCc3c(=O)[n-]c(N4CCC[C@@H](C)C4)nc3C2)ccc1O ZINC000012182668 221162990 /nfs/dbraw/zinc/16/29/90/221162990.db2.gz GBWBOBOTSGZHTM-CQSZACIVSA-N -1 3 384.480 2.279 40 0 GEABHM COc1ccc(CN2CCc3c(=O)[n-]c(N4CCC[C@@H](C)C4)nc3C2)cc1CO ZINC000012182696 221163106 /nfs/dbraw/zinc/16/31/06/221163106.db2.gz QXRCMBKOSBMMPI-OAHLLOKOSA-N -1 3 398.507 2.065 40 0 GEABHM CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)CCc4ccccc4)C3)nc2C1 ZINC000019019084 221395161 /nfs/dbraw/zinc/39/51/61/221395161.db2.gz MWXFBEHRXJBJCX-QGZVFWFLSA-N -1 3 394.475 2.036 40 0 GEABHM CC(=O)Nc1ccc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc1 ZINC000019022501 221395400 /nfs/dbraw/zinc/39/54/00/221395400.db2.gz AMWDJPYWYUAAET-UHFFFAOYSA-N -1 3 389.459 2.391 40 0 GEABHM CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)Cc3ccsc3)nc2C1 ZINC000019019033 221395493 /nfs/dbraw/zinc/39/54/93/221395493.db2.gz ADLMOVZYVVVUIZ-MRXNPFEDSA-N -1 3 386.477 2.055 40 0 GEABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)C5CC5)CC4)[n-]n3c(=O)c2C1 ZINC000019448123 221412138 /nfs/dbraw/zinc/41/21/38/221412138.db2.gz IVFZGPSCFCWKMS-UHFFFAOYSA-N -1 3 383.496 2.317 40 0 GEABHM COc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[n-]c3=O)C2)cc1 ZINC000072347239 136168692 /nfs/dbraw/zinc/16/86/92/136168692.db2.gz MVHDESBVZHBDGE-GASCZTMLSA-N -1 3 384.480 2.363 40 0 GEABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cc(F)ccc2F)C3)C[C@@H](C)O1 ZINC000072347297 136168858 /nfs/dbraw/zinc/16/88/58/136168858.db2.gz OPINKMDPHFRZHM-CHWSQXEVSA-N -1 3 390.434 2.220 40 0 GEABHM CCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc(Br)c1 ZINC000071980186 222202632 /nfs/dbraw/zinc/20/26/32/222202632.db2.gz YJKQWHDDACECHA-CQSZACIVSA-N -1 3 397.269 2.187 40 0 GEABHM CCOC(=O)Cn1cc(CN2CCc3nc(C)[n-]c(=O)c3C2)c2ccccc21 ZINC000072347457 222234982 /nfs/dbraw/zinc/23/49/82/222234982.db2.gz HUGVIYMBPTVCSU-UHFFFAOYSA-N -1 3 380.448 2.154 40 0 GEABHM COc1cccc2[nH]c(C[C@H]3CN(Cc4c[nH]cn4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514288355 560035235 /nfs/dbraw/zinc/03/52/35/560035235.db2.gz AVFCMUDTPUXTHM-KBPBESRZSA-N -1 3 383.452 2.450 40 0 biogenic,in-vitro GEABHM COc1cccc2[nH]c(C[C@H]3CN(Cc4cnc[nH]4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514288355 560035236 /nfs/dbraw/zinc/03/52/36/560035236.db2.gz AVFCMUDTPUXTHM-KBPBESRZSA-N -1 3 383.452 2.450 40 0 biogenic,in-vitro GEABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1 ZINC000022609985 570323032 /nfs/dbraw/zinc/32/30/32/570323032.db2.gz NDTLEFYPVMWBQR-CQSZACIVSA-N -1 3 395.463 2.442 40 0 GEABHM COc1ccc(CC[NH2+][C@@H](C)[C@@H](O)c2ccc([N-]S(C)(=O)=O)c([O-])c2)cc1 ZINC000004194713 570362365 /nfs/dbraw/zinc/36/23/65/570362365.db2.gz UOEHIRNDXGQHLQ-ORAYPTAESA-N -1 3 394.493 2.027 40 0 in-man GEABHM O=C1N[C@@H](c2cccc(O)c2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004269823 570364581 /nfs/dbraw/zinc/36/45/81/570364581.db2.gz ARGKQMOEZGOHNI-GRDNDAEWSA-N -1 3 380.322 2.496 40 0 GEABHM Cc1cccc2cc3c(N)c(C(=O)Nc4c(C)[nH]c(=O)[n-]c4=O)sc3nc12 ZINC000004848762 570412065 /nfs/dbraw/zinc/41/20/65/570412065.db2.gz AYDKAVPPNYJMCT-UHFFFAOYSA-N -1 3 381.417 2.277 40 0 GEABHM CN(C)Cc1c(C(=O)[O-])[nH]c(=O)n(-c2ccc(Oc3ccccc3)cc2)c1=O ZINC000222672902 570419904 /nfs/dbraw/zinc/41/99/04/570419904.db2.gz AVCRNWNSDPJUNC-UHFFFAOYSA-N -1 3 381.388 2.078 40 0 GEABHM CC(C)Oc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 ZINC000223679307 570478377 /nfs/dbraw/zinc/47/83/77/570478377.db2.gz OYQYOWNLNITUBC-UHFFFAOYSA-N -1 3 398.510 2.398 40 0 GEABHM O=C(c1cccc([O-])c1)N1Cc2ccnn2[C@@H](C(=O)N2CCC(F)(F)CC2)C1 ZINC000575403006 570519517 /nfs/dbraw/zinc/51/95/17/570519517.db2.gz FLZHHJBFADTJEY-MRXNPFEDSA-N -1 3 390.390 2.044 40 0 GEABHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)ccc1C ZINC000225015696 570543810 /nfs/dbraw/zinc/54/38/10/570543810.db2.gz PPOCHBZPJFXMNN-UHFFFAOYSA-N -1 3 390.461 2.419 40 0 GEABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(C)=O)s1)c1ccc(OC)c(C)c1 ZINC000225862846 570628333 /nfs/dbraw/zinc/62/83/33/570628333.db2.gz NBXLHNYSTYPMBL-GFCCVEGCSA-N -1 3 384.483 2.243 40 0 GEABHM CN(C)c1nc([C@@H]2CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)cc(=O)[n-]1 ZINC000012406508 570654041 /nfs/dbraw/zinc/65/40/41/570654041.db2.gz PJUXZYMTEGUGJF-MRXNPFEDSA-N -1 3 396.491 2.313 40 0 GEABHM O=C(C1CC1)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1 ZINC000005763498 570664466 /nfs/dbraw/zinc/66/44/66/570664466.db2.gz AOLLJHFBQSLOOA-UHFFFAOYSA-N -1 3 396.426 2.230 40 0 GEABHM Cc1cc(C(=O)N2CCC3(C[C@@H](N(C)c4ccccc4)CO3)CC2)[n-]c(=O)n1 ZINC000257325414 570781759 /nfs/dbraw/zinc/78/17/59/570781759.db2.gz WSVCOAVXAGVROO-QGZVFWFLSA-N -1 3 382.464 2.391 40 0 GEABHM O=C(c1cccnc1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)C1 ZINC000019337350 570976531 /nfs/dbraw/zinc/97/65/31/570976531.db2.gz NDNFPZSAEYIUTL-MRXNPFEDSA-N -1 3 393.491 2.095 40 0 GEABHM CCc1c(C)nc([C@@H]2CCCN2C(=O)C[C@@H]2NC(=O)c3ccccc32)[n-]c1=O ZINC000019521568 570994556 /nfs/dbraw/zinc/99/45/56/570994556.db2.gz ZTKFFFWEXINTIU-IRXDYDNUSA-N -1 3 380.448 2.179 40 0 GEABHM CCc1cc(C[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)on1 ZINC000019522833 570995338 /nfs/dbraw/zinc/99/53/38/570995338.db2.gz ZSTYRJHFZGOROJ-UHFFFAOYSA-N -1 3 375.450 2.015 40 0 GEABHM Cc1nnsc1C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019563423 571006568 /nfs/dbraw/zinc/00/65/68/571006568.db2.gz NOZGCJVWSXFKDO-UHFFFAOYSA-N -1 3 388.478 2.073 40 0 GEABHM CN1CCc2nc([C@@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)[n-]c(=O)c2C1 ZINC000019590265 571016905 /nfs/dbraw/zinc/01/69/05/571016905.db2.gz AOICLUSQIHEGTR-CYBMUJFWSA-N -1 3 383.452 2.055 40 0 GEABHM COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000019594691 571020256 /nfs/dbraw/zinc/02/02/56/571020256.db2.gz JYMMJCXCSMVKFZ-OAHLLOKOSA-N -1 3 376.416 2.470 40 0 GEABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCCc1ccccc1 ZINC000408610837 231079516 /nfs/dbraw/zinc/07/95/16/231079516.db2.gz UOYFNUMIJLZZKW-ZDUSSCGKSA-N -1 3 396.896 2.374 40 0 GEABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000408591525 231070649 /nfs/dbraw/zinc/07/06/49/231070649.db2.gz JLVHKZPRWXVLME-HNNXBMFYSA-N -1 3 392.477 2.326 40 0 GEABHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000011699795 221123496 /nfs/dbraw/zinc/12/34/96/221123496.db2.gz ACLPREFVUOCDFS-LBPRGKRZSA-N -1 3 376.434 2.320 40 0 GEABHM Cc1ccc([C@H](C)C(=O)N2CCC[C@@H]2Cn2nnc3c2nc(C)[n-]c3=O)cc1 ZINC000012084912 221148334 /nfs/dbraw/zinc/14/83/34/221148334.db2.gz JWKXCRHASPXPAA-XJKSGUPXSA-N -1 3 380.452 2.338 40 0 GEABHM O=C1c2cccc3c(N(CCO)CCO)ccc(c23)C(=O)N1c1ccccc1[O-] ZINC000016450279 221363169 /nfs/dbraw/zinc/36/31/69/221363169.db2.gz AJJUDBAMJXICOP-UHFFFAOYSA-N -1 3 392.411 2.137 40 0 GEABHM CCOc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[n-]c3=O)C2)cc1 ZINC000072347180 136168780 /nfs/dbraw/zinc/16/87/80/136168780.db2.gz FSSBVWAYPXUUGT-HZPDHXFCSA-N -1 3 398.507 2.341 40 0 GEABHM CN1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CCc1ccccc1)CC2 ZINC000072391711 222248594 /nfs/dbraw/zinc/24/85/94/222248594.db2.gz RLJXJXGTGZBCBR-LJQANCHMSA-N -1 3 380.492 2.444 40 0 GEABHM Cc1nccn1-c1ccccc1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000020041372 570237019 /nfs/dbraw/zinc/23/70/19/570237019.db2.gz MXFGBICFQXEMIV-UHFFFAOYSA-N -1 3 384.461 2.482 40 0 GEABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1 ZINC000022609989 570323206 /nfs/dbraw/zinc/32/32/06/570323206.db2.gz NDTLEFYPVMWBQR-AWEZNQCLSA-N -1 3 395.463 2.442 40 0 GEABHM COC(=O)c1ccc(CS(=O)(=O)[N-]Cc2nc(-c3cccs3)no2)cc1 ZINC000223657859 570477037 /nfs/dbraw/zinc/47/70/37/570477037.db2.gz KUKFJCLYPCXDBT-UHFFFAOYSA-N -1 3 393.446 2.204 40 0 GEABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCOCC3)ccc2C)cc1 ZINC000224056043 570496784 /nfs/dbraw/zinc/49/67/84/570496784.db2.gz YQUWZJNHBKDRRS-UHFFFAOYSA-N -1 3 390.461 2.277 40 0 GEABHM CO[C@@H]1CCC[C@H](C(=O)N2CC[C@H](c3nc(-c4ccccn4)cc(=O)[n-]3)C2)C1 ZINC000072397179 570576382 /nfs/dbraw/zinc/57/63/82/570576382.db2.gz LHWWLDHQYGRPTP-HRCADAONSA-N -1 3 382.464 2.353 40 0 GEABHM CC(C)Oc1ccc(NC(=O)C2([N-]S(=O)(=O)c3cccs3)CC2)cn1 ZINC000225930433 570634468 /nfs/dbraw/zinc/63/44/68/570634468.db2.gz CHYWMBJTKKCNFK-UHFFFAOYSA-N -1 3 381.479 2.380 40 0 GEABHM Cn1cnc(C(=O)N[C@H](Cc2cc(=O)[n-]c(C3CCC3)n2)c2ccccc2)c1 ZINC000019290789 570971916 /nfs/dbraw/zinc/97/19/16/570971916.db2.gz PXCGUSWPGZHZHT-QGZVFWFLSA-N -1 3 377.448 2.485 40 0 GEABHM COc1ccc(C=C2N[C@@H](c3ccc(NC(=O)c4nc[n-]n4)cc3)OC2=O)cc1 ZINC000019419222 570983846 /nfs/dbraw/zinc/98/38/46/570983846.db2.gz KUYQMHQZHVGARY-NXIIHZOPSA-N -1 3 391.387 2.252 40 0 GEABHM CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cccnc4)C3)[n-]c(=O)c2C1 ZINC000019501596 570992857 /nfs/dbraw/zinc/99/28/57/570992857.db2.gz HLZJFZGFGOBLDF-QGZVFWFLSA-N -1 3 395.507 2.229 40 0 GEABHM Cc1nonc1CC(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1 ZINC000019558975 571004428 /nfs/dbraw/zinc/00/44/28/571004428.db2.gz PZAYYGVZFCBADL-GFCCVEGCSA-N -1 3 385.449 2.139 40 0 GEABHM COc1ccccc1CC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1 ZINC000019590260 571017101 /nfs/dbraw/zinc/01/71/01/571017101.db2.gz JKPUAAAUSHZSLB-INIZCTEOSA-N -1 3 396.491 2.127 40 0 GEABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000044843949 531687498 /nfs/dbraw/zinc/68/74/98/531687498.db2.gz JMFKSUSMWLSKBD-UHFFFAOYSA-N -1 3 382.825 2.370 40 0 GEABHM COc1cc(CN2CCc3c(=O)[n-]c(N4CCC[C@H](C)C4)nc3C2)ccc1O ZINC000072347328 136169004 /nfs/dbraw/zinc/16/90/04/136169004.db2.gz GBWBOBOTSGZHTM-AWEZNQCLSA-N -1 3 384.480 2.279 40 0 GEABHM COc1ccccc1NC(=O)C(=O)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000409347945 534166155 /nfs/dbraw/zinc/16/61/55/534166155.db2.gz PDPBBZCEZCZKFK-HWPZZCPQSA-N -1 3 385.342 2.273 40 0 GEABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccccc1)C3 ZINC000019821101 570222331 /nfs/dbraw/zinc/22/23/31/570222331.db2.gz IOPQISOPQJBNNP-AWEZNQCLSA-N -1 3 379.416 2.034 40 0 GEABHM COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C23)cc1 ZINC000104819118 570303483 /nfs/dbraw/zinc/30/34/83/570303483.db2.gz UBEZAJYKENQLEO-PBHICJAKSA-N -1 3 384.775 2.476 40 0 GEABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1C ZINC000022609951 570323098 /nfs/dbraw/zinc/32/30/98/570323098.db2.gz XSUXJKYQHAJHMN-HNNXBMFYSA-N -1 3 395.463 2.442 40 0 GEABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1 ZINC000022610165 570323201 /nfs/dbraw/zinc/32/32/01/570323201.db2.gz UIXCERNVYIVKDM-HNNXBMFYSA-N -1 3 395.463 2.379 40 0 GEABHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000222783350 570425585 /nfs/dbraw/zinc/42/55/85/570425585.db2.gz UJEDZSJWNPTKRQ-UHFFFAOYSA-N -1 3 398.510 2.398 40 0 GEABHM COc1ccc([C@H](C)NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000223021993 570437814 /nfs/dbraw/zinc/43/78/14/570437814.db2.gz JRKVFDIDLUIOAG-LBPRGKRZSA-N -1 3 384.479 2.106 40 0 GEABHM O=C([N-]n1ccc2c(nnc3ccnn32)c1=O)c1ccc(Cl)cc1Cl ZINC000040388119 570599492 /nfs/dbraw/zinc/59/94/92/570599492.db2.gz JJSSHIBFSOALTE-UHFFFAOYSA-N -1 3 375.175 2.130 40 0 GEABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21 ZINC000040388872 570743567 /nfs/dbraw/zinc/74/35/67/570743567.db2.gz LVKCSDJUQSMSFS-GXTWGEPZSA-N -1 3 395.463 2.379 40 0 GEABHM COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC000257257821 570771456 /nfs/dbraw/zinc/77/14/56/570771456.db2.gz KRFGYKYXIXEJBH-QFIPXVFZSA-N -1 3 399.491 2.285 40 0 GEABHM O=C(NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[n-]c1=O)O2)c1[nH]nc2ccccc21 ZINC000257298484 570777935 /nfs/dbraw/zinc/77/79/35/570777935.db2.gz RLWHTLSFBWQCRE-ODXCJYRJSA-N -1 3 395.419 2.373 40 0 GEABHM O=C1N[C@@H](c2cccc(O)c2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000170620755 570788834 /nfs/dbraw/zinc/78/88/34/570788834.db2.gz ARGKQMOEZGOHNI-KEYYUXOJSA-N -1 3 380.322 2.496 40 0 GEABHM O=C(NCc1cccs1)[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21 ZINC000585096091 570922783 /nfs/dbraw/zinc/92/27/83/570922783.db2.gz QGAXLODRAPMEJZ-QGZVFWFLSA-N -1 3 382.445 2.164 40 0 GEABHM O=C1N[C@@H](c2ccc(O)cc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004183831 570967372 /nfs/dbraw/zinc/96/73/72/570967372.db2.gz XARPOSJFZZXPCU-GRDNDAEWSA-N -1 3 380.322 2.496 40 0 GEABHM Cc1cnc(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cn1 ZINC000019238847 570968431 /nfs/dbraw/zinc/96/84/31/570968431.db2.gz CKBNNQPNUZXKPH-UHFFFAOYSA-N -1 3 382.449 2.012 40 0 GEABHM Cc1nc2cc(NC(=O)Cc3c[nH]c(=O)[n-]c3=O)ccc2n1C1CCCCC1 ZINC000019286553 570969639 /nfs/dbraw/zinc/96/96/39/570969639.db2.gz XLPXOJIVEHIYFH-UHFFFAOYSA-N -1 3 381.436 2.408 40 0 GEABHM CCOC(=O)[C@H]1[C@@H](c2ccc(OC(F)F)cc2)NC(=O)[N-][C@]1(O)C(F)(F)F ZINC000004387398 570973732 /nfs/dbraw/zinc/97/37/32/570973732.db2.gz BQZLQFWSSMGXOK-GPCCPHFNSA-N -1 3 398.284 2.072 40 0 GEABHM COc1ccc(CN2CCc3c(=O)[n-]c(N4CCC(C)CC4)nc3C2)cc1O ZINC000019496951 570989825 /nfs/dbraw/zinc/98/98/25/570989825.db2.gz WFZROVRCICLGRY-UHFFFAOYSA-N -1 3 384.480 2.279 40 0 GEABHM CCc1c(C)nc([C@@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)[n-]c1=O ZINC000019521594 570995026 /nfs/dbraw/zinc/99/50/26/570995026.db2.gz QPPHYTKIEWUDEH-KRWDZBQOSA-N -1 3 382.464 2.185 40 0 GEABHM CSCC[C@H](NC(=O)c1ccccn1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019574000 571011302 /nfs/dbraw/zinc/01/13/02/571011302.db2.gz JQUNCGJIJCSYHT-AWEZNQCLSA-N -1 3 381.461 2.451 40 0 GEABHM Cc1nc(Cc2c(C)nc([C@@H]3CCCN3C(=O)C3CC3)nc2C)[n-]c(=O)c1C ZINC000019717396 571039612 /nfs/dbraw/zinc/03/96/12/571039612.db2.gz NITXPBLSUVAFQK-KRWDZBQOSA-N -1 3 381.480 2.458 40 0 GEABHM