smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2[nH+]c3ccccn3c2NC(C)(C)C)cc1 ZINC000000320113 567929419 /nfs/dbraw/zinc/92/94/19/567929419.db2.gz UGQVUNRZJYGZLR-UHFFFAOYSA-N 1 1 279.387 4.520 40 0 CJABMO Cc1cccc2[nH+]c(-c3ccccc3)c(NC(C)(C)C)n21 ZINC000000320156 567929492 /nfs/dbraw/zinc/92/94/92/567929492.db2.gz JSYCHNPEHOKLPS-UHFFFAOYSA-N 1 1 279.387 4.520 40 0 CJABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(F)cc1)c2NC(C)(C)C ZINC000000320206 567825337 /nfs/dbraw/zinc/82/53/37/567825337.db2.gz UVBAPMXYRMDNAM-UHFFFAOYSA-N 1 1 297.377 4.659 40 0 CJABMO CC(C)(C)Nc1c(-c2ccccc2)[nH+]c2ccc(Cl)cn21 ZINC000000320243 567929614 /nfs/dbraw/zinc/92/96/14/567929614.db2.gz HSKZHPDQVIUAAR-UHFFFAOYSA-N 1 1 299.805 4.865 40 0 CJABMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1)c2NC(C)(C)C ZINC000000411920 567929967 /nfs/dbraw/zinc/92/99/67/567929967.db2.gz XKXCEJQFBQELLH-UHFFFAOYSA-N 1 1 279.387 4.520 40 0 CJABMO c1ccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)cc1 ZINC000000412099 566979969 /nfs/dbraw/zinc/97/99/69/566979969.db2.gz ITAFYXQWMNSVLS-UHFFFAOYSA-N 1 1 291.398 4.746 40 0 CJABMO Cc1ccc(-c2[nH+]c3ccccn3c2NC2CCCC2)cc1 ZINC000000412107 567929873 /nfs/dbraw/zinc/92/98/73/567929873.db2.gz NEGXMUFWTZKVRA-UHFFFAOYSA-N 1 1 291.398 4.664 40 0 CJABMO Cc1ccc2[nH+]c(-c3ccccc3)c(NC(C)(C)C)n2c1 ZINC000000412135 567929689 /nfs/dbraw/zinc/92/96/89/567929689.db2.gz BGOCJSIYPFNKAJ-UHFFFAOYSA-N 1 1 279.387 4.520 40 0 CJABMO CCC(C)(C)Nc1c(-c2ccc(F)cc2)[nH+]c2ccccn21 ZINC000000413680 567929973 /nfs/dbraw/zinc/92/99/73/567929973.db2.gz BFBYCDVZQAFATN-UHFFFAOYSA-N 1 1 297.377 4.741 40 0 CJABMO Cc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC(C)C)cc1 ZINC000000413725 567929895 /nfs/dbraw/zinc/92/98/95/567929895.db2.gz IJEQUBZWKCNJJO-UHFFFAOYSA-N 1 1 299.805 4.783 40 0 CJABMO Cc1ccc2[nH+]c(-c3cccs3)c(NCCC(C)C)n2c1 ZINC000000417113 567929936 /nfs/dbraw/zinc/92/99/36/567929936.db2.gz GVTJNNPIFGWMGY-UHFFFAOYSA-N 1 1 299.443 4.829 40 0 CJABMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1)c2NCCC(C)C ZINC000000417130 567830045 /nfs/dbraw/zinc/83/00/45/567830045.db2.gz WMPORGYWKUUZQS-UHFFFAOYSA-N 1 1 293.414 4.768 40 0 CJABMO Cc1cccc2[nH+]c(-c3ccccc3)c(NCCC(C)C)n21 ZINC000000417138 567929889 /nfs/dbraw/zinc/92/98/89/567929889.db2.gz NJHMRXOGDYVSKP-UHFFFAOYSA-N 1 1 293.414 4.768 40 0 CJABMO Cc1cccc2[nH+]c(-c3ccccc3)c(NC3CCCC3)n21 ZINC000000417884 567929804 /nfs/dbraw/zinc/92/98/04/567929804.db2.gz UVBITWGKTAHVEE-UHFFFAOYSA-N 1 1 291.398 4.664 40 0 CJABMO Cc1ccc2[nH+]c(-c3ccccc3)c(NC3CCCC3)n2c1 ZINC000000417890 567929919 /nfs/dbraw/zinc/92/99/19/567929919.db2.gz YACCFNFIRWJJFX-UHFFFAOYSA-N 1 1 291.398 4.664 40 0 CJABMO Cc1ccc(Nc2[nH+]c3ccccc3n2C(C)C)cc1 ZINC000000513188 230366227 /nfs/dbraw/zinc/36/62/27/230366227.db2.gz CBLLLMPYQRHMGU-UHFFFAOYSA-N 1 1 265.360 4.669 40 0 CJABMO Cc1cccc(Nc2[nH+]c3ccccc3n2C(C)C)c1 ZINC000000513195 230366203 /nfs/dbraw/zinc/36/62/03/230366203.db2.gz NQDFMSAXTSEDGE-UHFFFAOYSA-N 1 1 265.360 4.669 40 0 CJABMO C[N@H+](CCc1ccccc1)CCC1CCCCCC1 ZINC000001562283 567838044 /nfs/dbraw/zinc/83/80/44/567838044.db2.gz RNYYIQHBUWREGT-UHFFFAOYSA-N 1 1 259.437 4.521 40 0 CJABMO C[N@H+]1CC[C@H](C=C2c3ccccc3Sc3ccccc32)C1 ZINC000001596430 567839114 /nfs/dbraw/zinc/83/91/14/567839114.db2.gz OHLZMPBUCRQNTN-CQSZACIVSA-N 1 1 293.435 4.535 40 0 CJABMO CC[N@H+]1CC[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000001628096 567839705 /nfs/dbraw/zinc/83/97/05/567839705.db2.gz WWDKBDJJPJAEBJ-QGZVFWFLSA-N 1 1 279.427 4.550 40 0 CJABMO C[C@@H]1CCC(=C(c2ccccc2)c2ccccc2)[C@@H](C)[N@H+]1C ZINC000001664585 567840318 /nfs/dbraw/zinc/84/03/18/567840318.db2.gz TXNWJQLSHVQKNF-IAGOWNOFSA-N 1 1 291.438 4.991 40 0 CJABMO CC(C)[N@H+]1CC[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000001672573 567840909 /nfs/dbraw/zinc/84/09/09/567840909.db2.gz ZVIBYDRSSAIKHS-GOSISDBHSA-N 1 1 293.454 4.939 40 0 CJABMO CCCCCCC1CC[NH+](CC(=O)c2ccccc2)CC1 ZINC000001673114 567841173 /nfs/dbraw/zinc/84/11/73/567841173.db2.gz GUADTKXHQKOIBZ-UHFFFAOYSA-N 1 1 287.447 4.552 40 0 CJABMO Cc1ccc(C)n1[N@@H+](Cc1ccccc1)c1ccccc1 ZINC000001685203 567937438 /nfs/dbraw/zinc/93/74/38/567937438.db2.gz YJFPWGJLHYVBSM-UHFFFAOYSA-N 1 1 276.383 4.575 40 0 CJABMO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(c2ccccc2)C3)cc1 ZINC000001688539 567841655 /nfs/dbraw/zinc/84/16/55/567841655.db2.gz GUKVQGJUHKIGAP-SEJPIABJSA-N 1 1 291.438 4.987 40 0 CJABMO CC[N@H+]1CC[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000004537349 567858130 /nfs/dbraw/zinc/85/81/30/567858130.db2.gz WWDKBDJJPJAEBJ-KRWDZBQOSA-N 1 1 279.427 4.550 40 0 CJABMO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000004761216 170013579 /nfs/dbraw/zinc/01/35/79/170013579.db2.gz MQDQZJUGDQLEDM-RDJZCZTQSA-N 1 1 277.839 4.741 40 0 CJABMO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000004761220 170013381 /nfs/dbraw/zinc/01/33/81/170013381.db2.gz MQDQZJUGDQLEDM-NVXWUHKLSA-N 1 1 277.839 4.741 40 0 CJABMO C[C@@H]1CCC[N@H+]([C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000004777656 170015358 /nfs/dbraw/zinc/01/53/58/170015358.db2.gz AHMBSJNHUWBBTM-XLIONFOSSA-N 1 1 279.427 4.702 40 0 CJABMO C[C@H]1CCC[N@H+]([C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000004777657 170015886 /nfs/dbraw/zinc/01/58/86/170015886.db2.gz AHMBSJNHUWBBTM-PXNSSMCTSA-N 1 1 279.427 4.702 40 0 CJABMO C[C@@H]1CCCC[N@H+]1[C@@H](Cc1ccccc1)c1ccccc1 ZINC000004777658 170015854 /nfs/dbraw/zinc/01/58/54/170015854.db2.gz PZRMMAFHGPTHPJ-XLIONFOSSA-N 1 1 279.427 4.845 40 0 CJABMO C[C@H]1CCCC[N@H+]1[C@@H](Cc1ccccc1)c1ccccc1 ZINC000004777659 170015923 /nfs/dbraw/zinc/01/59/23/170015923.db2.gz PZRMMAFHGPTHPJ-PXNSSMCTSA-N 1 1 279.427 4.845 40 0 CJABMO CC(C)[N@H+]1CC[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000004792341 170017510 /nfs/dbraw/zinc/01/75/10/170017510.db2.gz ZVIBYDRSSAIKHS-SFHVURJKSA-N 1 1 293.454 4.939 40 0 CJABMO C[N@H+]1CC[C@@H](C=C2c3ccccc3Sc3ccccc32)C1 ZINC000004896463 170037296 /nfs/dbraw/zinc/03/72/96/170037296.db2.gz OHLZMPBUCRQNTN-AWEZNQCLSA-N 1 1 293.435 4.535 40 0 CJABMO Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000004986662 170049594 /nfs/dbraw/zinc/04/95/94/170049594.db2.gz MJVZZKKXVUVDLQ-RTWAWAEBSA-N 1 1 289.422 4.815 40 0 CJABMO Cc1ccc(C2=C[C@@H]3CC[C@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000004986665 170049338 /nfs/dbraw/zinc/04/93/38/170049338.db2.gz MJVZZKKXVUVDLQ-LEWJYISDSA-N 1 1 289.422 4.815 40 0 CJABMO C[N@@H+]1CC=C(/C=C/c2ccc(-c3ccccc3)cc2)CC1 ZINC000005002426 170053394 /nfs/dbraw/zinc/05/33/94/170053394.db2.gz RSOOKSOFVZDIGS-BQYQJAHWSA-N 1 1 275.395 4.629 40 0 CJABMO C[C@@H]1CCC(=C(c2ccccc2)c2ccccc2)[C@H](C)[N@H+]1C ZINC000005046311 170060494 /nfs/dbraw/zinc/06/04/94/170060494.db2.gz TXNWJQLSHVQKNF-SJORKVTESA-N 1 1 291.438 4.991 40 0 CJABMO C[C@H]1CCC(=C(c2ccccc2)c2ccccc2)[C@H](C)[N@H+]1C ZINC000005046313 170060368 /nfs/dbraw/zinc/06/03/68/170060368.db2.gz TXNWJQLSHVQKNF-IRXDYDNUSA-N 1 1 291.438 4.991 40 0 CJABMO C[C@@H]1C(=C(c2ccccc2)c2ccccc2)CC[C@H](C)[N@@H+]1C ZINC000005046314 170060497 /nfs/dbraw/zinc/06/04/97/170060497.db2.gz TXNWJQLSHVQKNF-DLBZAZTESA-N 1 1 291.438 4.991 40 0 CJABMO CC1(C)CC(Nc2ccccc2)=CC(Nc2ccccc2)=[NH+]1 ZINC000005486394 170103812 /nfs/dbraw/zinc/10/38/12/170103812.db2.gz DAPNHRNRVCSDDN-UHFFFAOYSA-N 1 1 291.398 4.675 40 0 CJABMO Cc1scc(C[N@@H+](Cc2ccccc2)C(C)C)c1C ZINC000006895125 170253980 /nfs/dbraw/zinc/25/39/80/170253980.db2.gz HHJAEMMOOFNMFJ-UHFFFAOYSA-N 1 1 273.445 4.776 40 0 CJABMO Brc1cccc(Nc2cc[nH+]c3ccccc23)c1 ZINC000013743113 567021100 /nfs/dbraw/zinc/02/11/00/567021100.db2.gz HANOGSNEKFKCMV-UHFFFAOYSA-N 1 1 299.171 4.741 40 0 CJABMO CSc1ccc([C@H]2C[N@H+]3CCC[C@H]3c3ccccc32)cc1 ZINC000013813276 567868017 /nfs/dbraw/zinc/86/80/17/567868017.db2.gz YVKDUIAAPBKHMJ-MOPGFXCFSA-N 1 1 295.451 4.691 40 0 aggregator,in-vitro CJABMO CCCCN(C[N@@H+](CCCC)[C@H]1C=CCC1)[C@H]1C=CCC1 ZINC000019319730 567877449 /nfs/dbraw/zinc/87/74/49/567877449.db2.gz NOFLOHBDWXQTRB-OALUTQOASA-N 1 1 290.495 4.585 40 0 CJABMO CC(C)(C)CC(C)(C)NCC[NH2+]C(C)(C)CC(C)(C)C ZINC000019366523 570237788 /nfs/dbraw/zinc/23/77/88/570237788.db2.gz DCRAECRBHQMGEX-UHFFFAOYSA-N 1 1 284.532 4.595 40 0 CJABMO FC(F)(F)c1cccc(Nc2cc[nH+]c3ccccc23)c1 ZINC000041055568 566979229 /nfs/dbraw/zinc/97/92/29/566979229.db2.gz ZTKKUPNZKHSQDH-UHFFFAOYSA-N 1 1 288.272 4.997 40 0 CJABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212142 567918143 /nfs/dbraw/zinc/91/81/43/567918143.db2.gz GFVWBBDDXUIFKN-GOSISDBHSA-N 1 1 296.414 4.667 40 0 CJABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212143 567918235 /nfs/dbraw/zinc/91/82/35/567918235.db2.gz GFVWBBDDXUIFKN-SFHVURJKSA-N 1 1 296.414 4.667 40 0 CJABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212144 567918067 /nfs/dbraw/zinc/91/80/67/567918067.db2.gz RHQBXCGLVZYUNU-GOSISDBHSA-N 1 1 296.414 4.811 40 0 CJABMO CCCC[N@H+]1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212145 567918546 /nfs/dbraw/zinc/91/85/46/567918546.db2.gz RHQBXCGLVZYUNU-SFHVURJKSA-N 1 1 296.414 4.811 40 0 CJABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212157 567918231 /nfs/dbraw/zinc/91/82/31/567918231.db2.gz UFZJGQYPFBPZCR-GOSISDBHSA-N 1 1 296.414 4.811 40 0 CJABMO CCC[N@H+]1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212158 567918638 /nfs/dbraw/zinc/91/86/38/567918638.db2.gz UFZJGQYPFBPZCR-SFHVURJKSA-N 1 1 296.414 4.811 40 0 CJABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212159 567918435 /nfs/dbraw/zinc/91/84/35/567918435.db2.gz LHZCJSFFHMFFPL-GOSISDBHSA-N 1 1 296.414 4.809 40 0 CJABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212160 567918140 /nfs/dbraw/zinc/91/81/40/567918140.db2.gz LHZCJSFFHMFFPL-SFHVURJKSA-N 1 1 296.414 4.809 40 0 CJABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212202 567918646 /nfs/dbraw/zinc/91/86/46/567918646.db2.gz GMHLNBJSJRFYKJ-GOSISDBHSA-N 1 1 296.414 4.667 40 0 CJABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212203 567918592 /nfs/dbraw/zinc/91/85/92/567918592.db2.gz GMHLNBJSJRFYKJ-SFHVURJKSA-N 1 1 296.414 4.667 40 0 CJABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212204 567918080 /nfs/dbraw/zinc/91/80/80/567918080.db2.gz IMBSPSALPZPSSJ-GOSISDBHSA-N 1 1 296.414 4.811 40 0 CJABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212205 567918600 /nfs/dbraw/zinc/91/86/00/567918600.db2.gz IMBSPSALPZPSSJ-SFHVURJKSA-N 1 1 296.414 4.811 40 0 CJABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212217 567918462 /nfs/dbraw/zinc/91/84/62/567918462.db2.gz JDIVFVBSQDAEMR-GOSISDBHSA-N 1 1 296.414 4.811 40 0 CJABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212218 567918306 /nfs/dbraw/zinc/91/83/06/567918306.db2.gz JDIVFVBSQDAEMR-SFHVURJKSA-N 1 1 296.414 4.811 40 0 CJABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212219 567918319 /nfs/dbraw/zinc/91/83/19/567918319.db2.gz CWQLVVVUIIBJAZ-GOSISDBHSA-N 1 1 296.414 4.809 40 0 CJABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212220 567918008 /nfs/dbraw/zinc/91/80/08/567918008.db2.gz CWQLVVVUIIBJAZ-SFHVURJKSA-N 1 1 296.414 4.809 40 0 CJABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N[C@@H](C)CC ZINC000072213435 567919262 /nfs/dbraw/zinc/91/92/62/567919262.db2.gz VDYYGFWFOWPMKA-DOTOQJQBSA-N 1 1 289.467 4.619 40 0 CJABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N[C@@H](C)CC ZINC000072213436 567919340 /nfs/dbraw/zinc/91/93/40/567919340.db2.gz VDYYGFWFOWPMKA-RDJZCZTQSA-N 1 1 289.467 4.619 40 0 CJABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C)CC)nc1 ZINC000072213547 256712884 /nfs/dbraw/zinc/71/28/84/256712884.db2.gz AKJSKMNOFXRREZ-DOTOQJQBSA-N 1 1 289.467 4.619 40 0 CJABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N[C@@H](C)CC)nc1 ZINC000072213548 567919020 /nfs/dbraw/zinc/91/90/20/567919020.db2.gz AKJSKMNOFXRREZ-RDJZCZTQSA-N 1 1 289.467 4.619 40 0 CJABMO CCCCNc1ncccc1[C@@H]1CCCC[N@H+]1CCCC ZINC000072213622 567919354 /nfs/dbraw/zinc/91/93/54/567919354.db2.gz HJEBRIRPUSONGU-KRWDZBQOSA-N 1 1 289.467 4.621 40 0 CJABMO CCCCNc1ncccc1[C@H]1CCCC[N@H+]1CCCC ZINC000072213623 567918906 /nfs/dbraw/zinc/91/89/06/567918906.db2.gz HJEBRIRPUSONGU-QGZVFWFLSA-N 1 1 289.467 4.621 40 0 CJABMO CCCCNc1ccc([C@@H]2CCCC[N@H+]2CCCC)cn1 ZINC000072213682 567919158 /nfs/dbraw/zinc/91/91/58/567919158.db2.gz TZGDOTTUTQFUCQ-KRWDZBQOSA-N 1 1 289.467 4.621 40 0 CJABMO CCCCNc1ccc([C@H]2CCCC[N@H+]2CCCC)cn1 ZINC000072213683 567919122 /nfs/dbraw/zinc/91/91/22/567919122.db2.gz TZGDOTTUTQFUCQ-QGZVFWFLSA-N 1 1 289.467 4.621 40 0 CJABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214081 567919445 /nfs/dbraw/zinc/91/94/45/567919445.db2.gz XCWRIAFRGWQKQG-GOSISDBHSA-N 1 1 295.430 4.618 40 0 CJABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214082 567919997 /nfs/dbraw/zinc/91/99/97/567919997.db2.gz XCWRIAFRGWQKQG-SFHVURJKSA-N 1 1 295.430 4.618 40 0 CJABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214083 567919457 /nfs/dbraw/zinc/91/94/57/567919457.db2.gz ZZRYYMONXSKSAG-GOSISDBHSA-N 1 1 295.430 4.762 40 0 CJABMO CCCC[N@H+]1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214084 567919735 /nfs/dbraw/zinc/91/97/35/567919735.db2.gz ZZRYYMONXSKSAG-SFHVURJKSA-N 1 1 295.430 4.762 40 0 CJABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214096 567919665 /nfs/dbraw/zinc/91/96/65/567919665.db2.gz OUDBBUOGUXLHIQ-GOSISDBHSA-N 1 1 295.430 4.762 40 0 CJABMO CCC[N@H+]1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214097 567919766 /nfs/dbraw/zinc/91/97/66/567919766.db2.gz OUDBBUOGUXLHIQ-SFHVURJKSA-N 1 1 295.430 4.762 40 0 CJABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214098 567919522 /nfs/dbraw/zinc/91/95/22/567919522.db2.gz SDLULJVHUBTHFL-GOSISDBHSA-N 1 1 295.430 4.761 40 0 CJABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214099 567919468 /nfs/dbraw/zinc/91/94/68/567919468.db2.gz SDLULJVHUBTHFL-SFHVURJKSA-N 1 1 295.430 4.761 40 0 CJABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214141 567919964 /nfs/dbraw/zinc/91/99/64/567919964.db2.gz MGYGJWOLFJQBQE-GOSISDBHSA-N 1 1 295.430 4.618 40 0 CJABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214142 567919881 /nfs/dbraw/zinc/91/98/81/567919881.db2.gz MGYGJWOLFJQBQE-SFHVURJKSA-N 1 1 295.430 4.618 40 0 CJABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214143 567919498 /nfs/dbraw/zinc/91/94/98/567919498.db2.gz KHWPYASUTANVJA-GOSISDBHSA-N 1 1 295.430 4.762 40 0 CJABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214144 567920049 /nfs/dbraw/zinc/92/00/49/567920049.db2.gz KHWPYASUTANVJA-SFHVURJKSA-N 1 1 295.430 4.762 40 0 CJABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214156 567919465 /nfs/dbraw/zinc/91/94/65/567919465.db2.gz FTUGBUQEEKVVIG-GOSISDBHSA-N 1 1 295.430 4.762 40 0 CJABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214157 567919662 /nfs/dbraw/zinc/91/96/62/567919662.db2.gz FTUGBUQEEKVVIG-SFHVURJKSA-N 1 1 295.430 4.762 40 0 CJABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214158 567919447 /nfs/dbraw/zinc/91/94/47/567919447.db2.gz VWLCCHAYNCILRS-GOSISDBHSA-N 1 1 295.430 4.761 40 0 CJABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214159 567919631 /nfs/dbraw/zinc/91/96/31/567919631.db2.gz VWLCCHAYNCILRS-SFHVURJKSA-N 1 1 295.430 4.761 40 0 CJABMO CSc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072216907 567921348 /nfs/dbraw/zinc/92/13/48/567921348.db2.gz ZCUJJONCGSLCBZ-KRWDZBQOSA-N 1 1 298.455 4.531 40 0 CJABMO CSc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072216908 567921356 /nfs/dbraw/zinc/92/13/56/567921356.db2.gz ZCUJJONCGSLCBZ-QGZVFWFLSA-N 1 1 298.455 4.531 40 0 CJABMO CSc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072216967 567921291 /nfs/dbraw/zinc/92/12/91/567921291.db2.gz CJAQIRUACJSODJ-KRWDZBQOSA-N 1 1 298.455 4.531 40 0 CJABMO CSc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072216968 567921113 /nfs/dbraw/zinc/92/11/13/567921113.db2.gz CJAQIRUACJSODJ-QGZVFWFLSA-N 1 1 298.455 4.531 40 0 CJABMO CCSc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072217110 567921304 /nfs/dbraw/zinc/92/13/04/567921304.db2.gz KGJVNPVVMKQXOM-KRWDZBQOSA-N 1 1 298.455 4.531 40 0 CJABMO CCSc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072217111 567921034 /nfs/dbraw/zinc/92/10/34/567921034.db2.gz KGJVNPVVMKQXOM-QGZVFWFLSA-N 1 1 298.455 4.531 40 0 CJABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(SCC)nc1 ZINC000072217145 567921099 /nfs/dbraw/zinc/92/10/99/567921099.db2.gz MGCHODOWXMHEAG-OAHLLOKOSA-N 1 1 278.465 4.521 40 0 CJABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(SCC)nc1 ZINC000072217146 567921137 /nfs/dbraw/zinc/92/11/37/567921137.db2.gz MGCHODOWXMHEAG-HNNXBMFYSA-N 1 1 278.465 4.521 40 0 CJABMO CCSc1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072217170 567921096 /nfs/dbraw/zinc/92/10/96/567921096.db2.gz LZFCRWGRQZJNTB-KRWDZBQOSA-N 1 1 298.455 4.531 40 0 CJABMO CCSc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072217171 567921116 /nfs/dbraw/zinc/92/11/16/567921116.db2.gz LZFCRWGRQZJNTB-QGZVFWFLSA-N 1 1 298.455 4.531 40 0 CJABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1SCC ZINC000072217205 567920900 /nfs/dbraw/zinc/92/09/00/567920900.db2.gz MQZDPJCWFUQMDU-OAHLLOKOSA-N 1 1 278.465 4.521 40 0 CJABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1SCC ZINC000072217206 567921240 /nfs/dbraw/zinc/92/12/40/567921240.db2.gz MQZDPJCWFUQMDU-HNNXBMFYSA-N 1 1 278.465 4.521 40 0 CJABMO CC[N@H+]1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217232 567920018 /nfs/dbraw/zinc/92/00/18/567920018.db2.gz YBNWZKPZRGDDPA-MRXNPFEDSA-N 1 1 290.476 4.663 40 0 CJABMO CC[N@H+]1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217233 567919671 /nfs/dbraw/zinc/91/96/71/567919671.db2.gz YBNWZKPZRGDDPA-INIZCTEOSA-N 1 1 290.476 4.663 40 0 CJABMO C[N@H+]1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217255 567919623 /nfs/dbraw/zinc/91/96/23/567919623.db2.gz MUHXNDAUGKACRY-MRXNPFEDSA-N 1 1 290.476 4.663 40 0 CJABMO C[N@H+]1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217256 567919713 /nfs/dbraw/zinc/91/97/13/567919713.db2.gz MUHXNDAUGKACRY-INIZCTEOSA-N 1 1 290.476 4.663 40 0 CJABMO CC[N@H+]1CCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217292 567919905 /nfs/dbraw/zinc/91/99/05/567919905.db2.gz CKBCQWSLVXSVNN-MRXNPFEDSA-N 1 1 290.476 4.663 40 0 CJABMO CC[N@H+]1CCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217293 567919685 /nfs/dbraw/zinc/91/96/85/567919685.db2.gz CKBCQWSLVXSVNN-INIZCTEOSA-N 1 1 290.476 4.663 40 0 CJABMO C[N@H+]1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217315 567919980 /nfs/dbraw/zinc/91/99/80/567919980.db2.gz ZPEUWVAZKPHVJQ-MRXNPFEDSA-N 1 1 290.476 4.663 40 0 CJABMO C[N@H+]1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217316 567920012 /nfs/dbraw/zinc/92/00/12/567920012.db2.gz ZPEUWVAZKPHVJQ-INIZCTEOSA-N 1 1 290.476 4.663 40 0 CJABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217360 567920086 /nfs/dbraw/zinc/92/00/86/567920086.db2.gz XKYGWFLIMZQNAL-CQSZACIVSA-N 1 1 278.465 4.518 40 0 CJABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217361 567919872 /nfs/dbraw/zinc/91/98/72/567919872.db2.gz XKYGWFLIMZQNAL-AWEZNQCLSA-N 1 1 278.465 4.518 40 0 CJABMO CCC[N@H+]1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217362 567919940 /nfs/dbraw/zinc/91/99/40/567919940.db2.gz ACJBQVSBFBOVRR-CQSZACIVSA-N 1 1 278.465 4.519 40 0 CJABMO CCC[N@H+]1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217363 567919989 /nfs/dbraw/zinc/91/99/89/567919989.db2.gz ACJBQVSBFBOVRR-AWEZNQCLSA-N 1 1 278.465 4.519 40 0 CJABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217364 567919527 /nfs/dbraw/zinc/91/95/27/567919527.db2.gz AISDXYCPPXDICQ-OAHLLOKOSA-N 1 1 292.492 4.765 40 0 CJABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217365 567920025 /nfs/dbraw/zinc/92/00/25/567920025.db2.gz AISDXYCPPXDICQ-HNNXBMFYSA-N 1 1 292.492 4.765 40 0 CJABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217366 567919488 /nfs/dbraw/zinc/91/94/88/567919488.db2.gz DAHMARWLNIUVJG-OAHLLOKOSA-N 1 1 292.492 4.909 40 0 CJABMO CCCC[N@H+]1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217367 567919572 /nfs/dbraw/zinc/91/95/72/567919572.db2.gz DAHMARWLNIUVJG-HNNXBMFYSA-N 1 1 292.492 4.909 40 0 CJABMO CC[N@H+]1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217377 567919729 /nfs/dbraw/zinc/91/97/29/567919729.db2.gz PSJDMMCBRIGYNV-CQSZACIVSA-N 1 1 278.465 4.519 40 0 CJABMO CC[N@H+]1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217378 567919773 /nfs/dbraw/zinc/91/97/73/567919773.db2.gz PSJDMMCBRIGYNV-AWEZNQCLSA-N 1 1 278.465 4.519 40 0 CJABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217379 567919748 /nfs/dbraw/zinc/91/97/48/567919748.db2.gz BRBLJHZATKQOAZ-OAHLLOKOSA-N 1 1 292.492 4.909 40 0 CJABMO CCC[N@H+]1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217380 567919462 /nfs/dbraw/zinc/91/94/62/567919462.db2.gz BRBLJHZATKQOAZ-HNNXBMFYSA-N 1 1 292.492 4.909 40 0 CJABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217381 567919900 /nfs/dbraw/zinc/91/99/00/567919900.db2.gz SVLBRLGQWJMKBF-OAHLLOKOSA-N 1 1 292.492 4.908 40 0 CJABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217382 567919920 /nfs/dbraw/zinc/91/99/20/567919920.db2.gz SVLBRLGQWJMKBF-HNNXBMFYSA-N 1 1 292.492 4.908 40 0 CJABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217420 567919584 /nfs/dbraw/zinc/91/95/84/567919584.db2.gz IZKAZTABKSOHAP-CQSZACIVSA-N 1 1 278.465 4.518 40 0 CJABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217421 567919628 /nfs/dbraw/zinc/91/96/28/567919628.db2.gz IZKAZTABKSOHAP-AWEZNQCLSA-N 1 1 278.465 4.518 40 0 CJABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217422 567919707 /nfs/dbraw/zinc/91/97/07/567919707.db2.gz CJBCXWJETZSYQR-CQSZACIVSA-N 1 1 278.465 4.519 40 0 CJABMO CCC[N@H+]1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217423 567919551 /nfs/dbraw/zinc/91/95/51/567919551.db2.gz CJBCXWJETZSYQR-AWEZNQCLSA-N 1 1 278.465 4.519 40 0 CJABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217424 567919850 /nfs/dbraw/zinc/91/98/50/567919850.db2.gz QBSJFOFPVMHCON-OAHLLOKOSA-N 1 1 292.492 4.765 40 0 CJABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217425 567919893 /nfs/dbraw/zinc/91/98/93/567919893.db2.gz QBSJFOFPVMHCON-HNNXBMFYSA-N 1 1 292.492 4.765 40 0 CJABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217426 567919656 /nfs/dbraw/zinc/91/96/56/567919656.db2.gz JONJCTKKVVWLFM-OAHLLOKOSA-N 1 1 292.492 4.909 40 0 CJABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217427 567919875 /nfs/dbraw/zinc/91/98/75/567919875.db2.gz JONJCTKKVVWLFM-HNNXBMFYSA-N 1 1 292.492 4.909 40 0 CJABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217437 567919561 /nfs/dbraw/zinc/91/95/61/567919561.db2.gz HURITYWKINFNSH-CQSZACIVSA-N 1 1 278.465 4.519 40 0 CJABMO CC[N@H+]1CCCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217438 567919634 /nfs/dbraw/zinc/91/96/34/567919634.db2.gz HURITYWKINFNSH-AWEZNQCLSA-N 1 1 278.465 4.519 40 0 CJABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217439 567919605 /nfs/dbraw/zinc/91/96/05/567919605.db2.gz CIMNBIUUCLKAMY-OAHLLOKOSA-N 1 1 292.492 4.909 40 0 CJABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217440 567919507 /nfs/dbraw/zinc/91/95/07/567919507.db2.gz CIMNBIUUCLKAMY-HNNXBMFYSA-N 1 1 292.492 4.909 40 0 CJABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217441 567919758 /nfs/dbraw/zinc/91/97/58/567919758.db2.gz AQOOFGUYJQJQQA-OAHLLOKOSA-N 1 1 292.492 4.908 40 0 CJABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217442 567919668 /nfs/dbraw/zinc/91/96/68/567919668.db2.gz AQOOFGUYJQJQQA-HNNXBMFYSA-N 1 1 292.492 4.908 40 0 CJABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217486 567920791 /nfs/dbraw/zinc/92/07/91/567920791.db2.gz FQZYFONOONVRLC-OAHLLOKOSA-N 1 1 278.465 4.519 40 0 CJABMO CCCC[N@H+]1CCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217487 567920221 /nfs/dbraw/zinc/92/02/21/567920221.db2.gz FQZYFONOONVRLC-HNNXBMFYSA-N 1 1 278.465 4.519 40 0 CJABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217499 567920224 /nfs/dbraw/zinc/92/02/24/567920224.db2.gz RKQAUPNXTVSWIW-OAHLLOKOSA-N 1 1 278.465 4.519 40 0 CJABMO CCC[N@H+]1CCCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217500 567920538 /nfs/dbraw/zinc/92/05/38/567920538.db2.gz RKQAUPNXTVSWIW-HNNXBMFYSA-N 1 1 278.465 4.519 40 0 CJABMO CC(C)Sc1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072217501 567920534 /nfs/dbraw/zinc/92/05/34/567920534.db2.gz NGZOJKZGZZGBDI-OAHLLOKOSA-N 1 1 278.465 4.518 40 0 CJABMO CC(C)Sc1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072217502 567920711 /nfs/dbraw/zinc/92/07/11/567920711.db2.gz NGZOJKZGZZGBDI-HNNXBMFYSA-N 1 1 278.465 4.518 40 0 CJABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217503 567920167 /nfs/dbraw/zinc/92/01/67/567920167.db2.gz YWYLILWUKSXCRL-MRXNPFEDSA-N 1 1 292.492 4.765 40 0 CJABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217504 567920245 /nfs/dbraw/zinc/92/02/45/567920245.db2.gz YWYLILWUKSXCRL-INIZCTEOSA-N 1 1 292.492 4.765 40 0 CJABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217505 567920390 /nfs/dbraw/zinc/92/03/90/567920390.db2.gz MQPZZLPWFPGQNV-MRXNPFEDSA-N 1 1 292.492 4.909 40 0 CJABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217506 567920262 /nfs/dbraw/zinc/92/02/62/567920262.db2.gz MQPZZLPWFPGQNV-INIZCTEOSA-N 1 1 292.492 4.909 40 0 CJABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1SC(C)C ZINC000072217546 567920595 /nfs/dbraw/zinc/92/05/95/567920595.db2.gz SMULHDAYCAPKKS-OAHLLOKOSA-N 1 1 278.465 4.519 40 0 CJABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1SC(C)C ZINC000072217547 567920782 /nfs/dbraw/zinc/92/07/82/567920782.db2.gz SMULHDAYCAPKKS-HNNXBMFYSA-N 1 1 278.465 4.519 40 0 CJABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1SC(C)C ZINC000072217559 567920107 /nfs/dbraw/zinc/92/01/07/567920107.db2.gz KYHCOGCQLKMNEY-OAHLLOKOSA-N 1 1 278.465 4.519 40 0 CJABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1SC(C)C ZINC000072217560 567920679 /nfs/dbraw/zinc/92/06/79/567920679.db2.gz KYHCOGCQLKMNEY-HNNXBMFYSA-N 1 1 278.465 4.519 40 0 CJABMO CC(C)Sc1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072217561 567920613 /nfs/dbraw/zinc/92/06/13/567920613.db2.gz DLYWSUIUBNXSLK-OAHLLOKOSA-N 1 1 278.465 4.518 40 0 CJABMO CC(C)Sc1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072217562 567920744 /nfs/dbraw/zinc/92/07/44/567920744.db2.gz DLYWSUIUBNXSLK-HNNXBMFYSA-N 1 1 278.465 4.518 40 0 CJABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1SC(C)C ZINC000072217563 567920472 /nfs/dbraw/zinc/92/04/72/567920472.db2.gz DNZNTJDRIOOKQA-MRXNPFEDSA-N 1 1 292.492 4.765 40 0 CJABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1SC(C)C ZINC000072217564 567920323 /nfs/dbraw/zinc/92/03/23/567920323.db2.gz DNZNTJDRIOOKQA-INIZCTEOSA-N 1 1 292.492 4.765 40 0 CJABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1SC(C)C ZINC000072217565 567920720 /nfs/dbraw/zinc/92/07/20/567920720.db2.gz IEKOZUHRLFBVHH-MRXNPFEDSA-N 1 1 292.492 4.909 40 0 CJABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1SC(C)C ZINC000072217566 256709633 /nfs/dbraw/zinc/70/96/33/256709633.db2.gz IEKOZUHRLFBVHH-INIZCTEOSA-N 1 1 292.492 4.909 40 0 CJABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217600 256709459 /nfs/dbraw/zinc/70/94/59/256709459.db2.gz TTZYTYNACKZRQI-QGZVFWFLSA-N 1 1 298.455 4.778 40 0 CJABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217601 567920335 /nfs/dbraw/zinc/92/03/35/567920335.db2.gz TTZYTYNACKZRQI-KRWDZBQOSA-N 1 1 298.455 4.778 40 0 CJABMO CCC[N@H+]1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217602 567920462 /nfs/dbraw/zinc/92/04/62/567920462.db2.gz TYPOBXNGOHKUPK-QGZVFWFLSA-N 1 1 298.455 4.780 40 0 CJABMO CCC[N@H+]1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217603 567920772 /nfs/dbraw/zinc/92/07/72/567920772.db2.gz TYPOBXNGOHKUPK-KRWDZBQOSA-N 1 1 298.455 4.780 40 0 CJABMO CC[N@H+]1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217617 567920517 /nfs/dbraw/zinc/92/05/17/567920517.db2.gz BTIQOZGBPFJCBZ-QGZVFWFLSA-N 1 1 298.455 4.780 40 0 CJABMO CC[N@H+]1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217618 567920183 /nfs/dbraw/zinc/92/01/83/567920183.db2.gz BTIQOZGBPFJCBZ-KRWDZBQOSA-N 1 1 298.455 4.780 40 0 CJABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217660 567920714 /nfs/dbraw/zinc/92/07/14/567920714.db2.gz CHIUHNKLHUAICC-QGZVFWFLSA-N 1 1 298.455 4.778 40 0 CJABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217661 567920627 /nfs/dbraw/zinc/92/06/27/567920627.db2.gz CHIUHNKLHUAICC-KRWDZBQOSA-N 1 1 298.455 4.778 40 0 CJABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217662 567920295 /nfs/dbraw/zinc/92/02/95/567920295.db2.gz FMNYSNTZDAQWSH-QGZVFWFLSA-N 1 1 298.455 4.780 40 0 CJABMO CCC[N@H+]1CCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217663 567920654 /nfs/dbraw/zinc/92/06/54/567920654.db2.gz FMNYSNTZDAQWSH-KRWDZBQOSA-N 1 1 298.455 4.780 40 0 CJABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217677 567920570 /nfs/dbraw/zinc/92/05/70/567920570.db2.gz HQBCCYGNHLEKJG-QGZVFWFLSA-N 1 1 298.455 4.780 40 0 CJABMO CC[N@H+]1CCCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217678 567920103 /nfs/dbraw/zinc/92/01/03/567920103.db2.gz HQBCCYGNHLEKJG-KRWDZBQOSA-N 1 1 298.455 4.780 40 0 CJABMO c1ccc(C[N@H+]2CCC[C@@H]2c2cnc3ccccc3c2)cc1 ZINC000072219556 567921848 /nfs/dbraw/zinc/92/18/48/567921848.db2.gz CNVGGBCIDZGXQA-HXUWFJFHSA-N 1 1 288.394 4.572 40 0 CJABMO c1ccc(C[N@H+]2CCC[C@H]2c2cnc3ccccc3c2)cc1 ZINC000072219557 567921613 /nfs/dbraw/zinc/92/16/13/567921613.db2.gz CNVGGBCIDZGXQA-FQEVSTJZSA-N 1 1 288.394 4.572 40 0 CJABMO CCCC[N@H+]1CCCC[C@@H]1c1cnc2ccccc2c1 ZINC000072219589 567921717 /nfs/dbraw/zinc/92/17/17/567921717.db2.gz AWFYAKZEQBVORD-GOSISDBHSA-N 1 1 268.404 4.562 40 0 CJABMO CCCC[N@H+]1CCCC[C@H]1c1cnc2ccccc2c1 ZINC000072219590 567921677 /nfs/dbraw/zinc/92/16/77/567921677.db2.gz AWFYAKZEQBVORD-SFHVURJKSA-N 1 1 268.404 4.562 40 0 CJABMO c1cc2cc([C@H]3CCC[N@@H+]3Cc3ccccc3)ccc2[nH]1 ZINC000072221721 567922365 /nfs/dbraw/zinc/92/23/65/567922365.db2.gz ACSDWCRQLJINMQ-LJQANCHMSA-N 1 1 276.383 4.505 40 0 CJABMO c1cc2cc([C@@H]3CCC[N@@H+]3Cc3ccccc3)ccc2[nH]1 ZINC000072221722 567922277 /nfs/dbraw/zinc/92/22/77/567922277.db2.gz ACSDWCRQLJINMQ-IBGZPJMESA-N 1 1 276.383 4.505 40 0 CJABMO c1cc2cc([C@H]3CCCC[N@@H+]3Cc3ccccc3)ccc2[nH]1 ZINC000072221758 567922082 /nfs/dbraw/zinc/92/20/82/567922082.db2.gz FGTSVVMPTXSVBO-HXUWFJFHSA-N 1 1 290.410 4.895 40 0 CJABMO c1cc2cc([C@@H]3CCCC[N@@H+]3Cc3ccccc3)ccc2[nH]1 ZINC000072221759 256706597 /nfs/dbraw/zinc/70/65/97/256706597.db2.gz FGTSVVMPTXSVBO-FQEVSTJZSA-N 1 1 290.410 4.895 40 0 CJABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccc3ncccc3c2)cc1 ZINC000072221776 567922332 /nfs/dbraw/zinc/92/23/32/567922332.db2.gz WSBQHCPBIRKVCP-HXUWFJFHSA-N 1 1 288.394 4.572 40 0 CJABMO c1ccc(C[N@H+]2CCC[C@H]2c2ccc3ncccc3c2)cc1 ZINC000072221777 567922016 /nfs/dbraw/zinc/92/20/16/567922016.db2.gz WSBQHCPBIRKVCP-FQEVSTJZSA-N 1 1 288.394 4.572 40 0 CJABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc2ncccc2c1 ZINC000072221811 567922399 /nfs/dbraw/zinc/92/23/99/567922399.db2.gz RQYZJJJYKUUIFN-GOSISDBHSA-N 1 1 268.404 4.562 40 0 CJABMO CCCC[N@H+]1CCCC[C@H]1c1ccc2ncccc2c1 ZINC000072221812 567922184 /nfs/dbraw/zinc/92/21/84/567922184.db2.gz RQYZJJJYKUUIFN-SFHVURJKSA-N 1 1 268.404 4.562 40 0 CJABMO Fc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000072221854 567922181 /nfs/dbraw/zinc/92/21/81/567922181.db2.gz LNOVHUJTGBSHTP-GOSISDBHSA-N 1 1 269.363 4.553 40 0 CJABMO Fc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000072221855 567922345 /nfs/dbraw/zinc/92/23/45/567922345.db2.gz LNOVHUJTGBSHTP-SFHVURJKSA-N 1 1 269.363 4.553 40 0 CJABMO C/C=C1/[N@@H+](C)[C@@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000100053167 567217863 /nfs/dbraw/zinc/21/78/63/567217863.db2.gz AJRJPORIQGYFMT-JVXRWIERSA-N 1 1 277.411 4.601 40 0 endogenous,world CJABMO C/C=C1/[N@@H+](C)[C@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000100199161 574417240 /nfs/dbraw/zinc/41/72/40/574417240.db2.gz AJRJPORIQGYFMT-FLJZTZRASA-N 1 1 277.411 4.601 40 0 endogenous,world CJABMO CC[NH+](CC)c1ccc(N2Cc3cc(C)c(C)cc3C2)cc1 ZINC000107999361 567085767 /nfs/dbraw/zinc/08/57/67/567085767.db2.gz OVHJACOYXCXNAH-UHFFFAOYSA-N 1 1 294.442 4.670 40 0 CJABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N[C@H](C)CC ZINC000108368546 567103699 /nfs/dbraw/zinc/10/36/99/567103699.db2.gz VDYYGFWFOWPMKA-NVXWUHKLSA-N 1 1 289.467 4.619 40 0 CJABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N[C@H](C)CC ZINC000108368551 567103149 /nfs/dbraw/zinc/10/31/49/567103149.db2.gz VDYYGFWFOWPMKA-WBVHZDCISA-N 1 1 289.467 4.619 40 0 CJABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H](C)CC)nc1 ZINC000108368683 567104226 /nfs/dbraw/zinc/10/42/26/567104226.db2.gz AKJSKMNOFXRREZ-NVXWUHKLSA-N 1 1 289.467 4.619 40 0 CJABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N[C@H](C)CC)nc1 ZINC000108368687 567104004 /nfs/dbraw/zinc/10/40/04/567104004.db2.gz AKJSKMNOFXRREZ-WBVHZDCISA-N 1 1 289.467 4.619 40 0 CJABMO Cc1cc[nH+]c(Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000199715585 567049543 /nfs/dbraw/zinc/04/95/43/567049543.db2.gz JBWBAAPVNZPNLI-UHFFFAOYSA-N 1 1 290.366 4.713 40 0 CJABMO Cc1cc[nH+]c(Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000199720048 567049278 /nfs/dbraw/zinc/04/92/78/567049278.db2.gz FMAOMSGQKMUMKX-UHFFFAOYSA-N 1 1 276.339 4.926 40 0 CJABMO CCC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(N)c1 ZINC000218282947 566843433 /nfs/dbraw/zinc/84/34/33/566843433.db2.gz SEVSHNDGDUCKNT-INIZCTEOSA-N 1 1 282.431 4.550 40 0 CJABMO CCC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(N)c1 ZINC000218282989 566843079 /nfs/dbraw/zinc/84/30/79/566843079.db2.gz SEVSHNDGDUCKNT-MRXNPFEDSA-N 1 1 282.431 4.550 40 0 CJABMO CCCC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(N)c1 ZINC000218283076 333130384 /nfs/dbraw/zinc/13/03/84/333130384.db2.gz QMBUGMGMVPGXRS-KRWDZBQOSA-N 1 1 296.458 4.941 40 0 CJABMO CCCC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(N)c1 ZINC000218283133 333130267 /nfs/dbraw/zinc/13/02/67/333130267.db2.gz QMBUGMGMVPGXRS-QGZVFWFLSA-N 1 1 296.458 4.941 40 0 CJABMO c1ccc2c(c1)OC1(C=C2[NH+]2CCCCC2)CCCCC1 ZINC000255188493 567110647 /nfs/dbraw/zinc/11/06/47/567110647.db2.gz KFDNHHAZJAVVAL-UHFFFAOYSA-N 1 1 283.415 4.609 40 0 CJABMO