smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc(F)cc1 ZINC000245607437 1125584290 /nfs/dbraw/zinc/58/42/90/1125584290.db2.gz ISLLPFFAZGQQSP-KBXCAEBGSA-N 0 3 299.393 3.543 50 0 CHAAHN Cc1oc2ccccc2c1CN1CCC[C@H]1c1cnn(C)c1 ZINC000131891989 1127761412 /nfs/dbraw/zinc/76/14/12/1127761412.db2.gz RTVHVDRYVBKOFG-KRWDZBQOSA-N 0 3 295.386 3.812 50 0 CHAAHN CC(C)c1noc(CCN[C@H](C)c2csc(Cl)c2)n1 ZINC000191359689 1128919682 /nfs/dbraw/zinc/91/96/82/1128919682.db2.gz HJNRPVBSGAVKHM-SECBINFHSA-N 0 3 299.827 3.801 50 0 CHAAHN CC(C)NC(=O)Nc1ccc(CNCc2ccccc2)cc1 ZINC000048784718 1120841747 /nfs/dbraw/zinc/84/17/47/1120841747.db2.gz YZICICNHLYLDOR-UHFFFAOYSA-N 0 3 297.402 3.506 50 0 CHAAHN O[C@@H]1CCCN(Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC000000214067 1129736440 /nfs/dbraw/zinc/73/64/40/1129736440.db2.gz WSXJQFNSAGSEJK-CQSZACIVSA-N 0 3 291.778 3.557 50 0 CHAAHN O[C@H]1CCCN(Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC000000214077 1129736526 /nfs/dbraw/zinc/73/65/26/1129736526.db2.gz WSXJQFNSAGSEJK-AWEZNQCLSA-N 0 3 291.778 3.557 50 0 CHAAHN CC(C)Cc1c[nH]nc1[C@H]1CCCN(Cc2ccco2)C1 ZINC000019788938 1129846226 /nfs/dbraw/zinc/84/62/26/1129846226.db2.gz CKKPAZQIXXQEFD-AWEZNQCLSA-N 0 3 287.407 3.581 50 0 CHAAHN Fc1ccc2[nH]c(C3CCN(Cc4ccoc4)CC3)nc2c1 ZINC000952985911 1132019601 /nfs/dbraw/zinc/01/96/01/1132019601.db2.gz IPTPJHMAXVDPDL-UHFFFAOYSA-N 0 3 299.349 3.675 50 0 CHAAHN C[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000095968125 185046764 /nfs/dbraw/zinc/04/67/64/185046764.db2.gz AJWXTGBRHMKPDP-BBATYDOGSA-N 0 3 287.856 3.538 50 0 CHAAHN c1cncc(CN2CCCCC[C@@H]2c2ccncc2)c1 ZINC000097000856 185150194 /nfs/dbraw/zinc/15/01/94/185150194.db2.gz HMPDMIAXXZMTHT-QGZVFWFLSA-N 0 3 267.376 3.594 50 0 CHAAHN Cc1ccc(C)c(CN2CCN(c3ccccc3)CC2)c1 ZINC000000239725 136396446 /nfs/dbraw/zinc/39/64/46/136396446.db2.gz IQWUWZGQRRLOTP-UHFFFAOYSA-N 0 3 280.415 3.626 50 0 CHAAHN CC[C@H](N)C(=O)N([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000155459854 188207636 /nfs/dbraw/zinc/20/76/36/188207636.db2.gz XCFJBCVSMVGXHZ-ACJLOTCBSA-N 0 3 296.414 3.629 50 0 CHAAHN C[C@@H](CN(C)Cc1cccc(F)c1)c1nccs1 ZINC000183975728 189373664 /nfs/dbraw/zinc/37/36/64/189373664.db2.gz YGJVOFZXRSGYRW-NSHDSACASA-N 0 3 264.369 3.518 50 0 CHAAHN Cc1cccc(NC(=O)CN(C)C[C@H](C)CC(C)C)c1C ZINC000225626177 189760136 /nfs/dbraw/zinc/76/01/36/189760136.db2.gz MXNLAIWVTKBNGA-CQSZACIVSA-N 0 3 290.451 3.856 50 0 CHAAHN C([C@@H]1CO[C@]2(CC[C@@H]3CCCC[C@@H]3C2)O1)N1CCCCC1 ZINC000004713520 170003592 /nfs/dbraw/zinc/00/35/92/170003592.db2.gz XBGMCAWJVPHBRD-BSDSXHPESA-N 0 3 293.451 3.574 50 0 CHAAHN CC(C)Oc1ccccc1OCCN1CCC[C@@H](C)C1 ZINC000004907023 170039916 /nfs/dbraw/zinc/03/99/16/170039916.db2.gz IWWIATSMDAQBPU-OAHLLOKOSA-N 0 3 277.408 3.585 50 0 CHAAHN O[C@@H]1CCCN(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000004985773 170049008 /nfs/dbraw/zinc/04/90/08/170049008.db2.gz BVMWOQVHTUDLJW-GFCCVEGCSA-N 0 3 291.778 3.557 50 0 CHAAHN CC[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006788123 170244063 /nfs/dbraw/zinc/24/40/63/170244063.db2.gz CILWEQVQHBKYMA-BDAKNGLRSA-N 0 3 289.206 3.709 50 0 CHAAHN CCN(CC)Cc1c(C)[nH]c2c(C)cc(C)cc2c1=O ZINC000008714102 170348654 /nfs/dbraw/zinc/34/86/54/170348654.db2.gz RMIXQXZUHNZVML-UHFFFAOYSA-N 0 3 272.392 3.707 50 0 CHAAHN Cc1cccc2c(=O)c(CN3CCCCCC3)c(C)[nH]c12 ZINC000008714602 170348985 /nfs/dbraw/zinc/34/89/85/170348985.db2.gz NFPJNMWIZIPSSF-UHFFFAOYSA-N 0 3 284.403 3.933 50 0 CHAAHN C[C@@H](NCc1cccc(O)c1)c1cccc(Cl)c1 ZINC000020124298 171006555 /nfs/dbraw/zinc/00/65/55/171006555.db2.gz BTUJPHUQQIAJRL-LLVKDONJSA-N 0 3 261.752 3.896 50 0 CHAAHN CC(C)[C@H](C)NCc1ccccc1Br ZINC000020305407 171141708 /nfs/dbraw/zinc/14/17/08/171141708.db2.gz IXANXMGBNNYZAF-JTQLQIEISA-N 0 3 256.187 3.583 50 0 CHAAHN CC(C)[C@@H](C)NCc1ccccc1Br ZINC000020305406 171141852 /nfs/dbraw/zinc/14/18/52/171141852.db2.gz IXANXMGBNNYZAF-SNVBAGLBSA-N 0 3 256.187 3.583 50 0 CHAAHN FC(F)(F)Oc1ccc([C@H]2NCCc3sccc32)cc1 ZINC000020390597 171179363 /nfs/dbraw/zinc/17/93/63/171179363.db2.gz HTPMFEFHLOIZKI-CYBMUJFWSA-N 0 3 299.317 3.882 50 0 CHAAHN COc1ccc([C@H](N)c2ccccc2)cc1Br ZINC000020522145 171235526 /nfs/dbraw/zinc/23/55/26/171235526.db2.gz LFKWMXRUUQRHBU-CQSZACIVSA-N 0 3 292.176 3.506 50 0 CHAAHN Cc1cccc(CN2CCC(Cc3ccccc3F)CC2)n1 ZINC000020780706 171272795 /nfs/dbraw/zinc/27/27/95/171272795.db2.gz WTCRGAIINPRRQX-UHFFFAOYSA-N 0 3 298.405 3.984 50 0 CHAAHN CCn1c2ccccc2nc1[C@@H](C)N1CCCCCC1 ZINC000021175846 171298878 /nfs/dbraw/zinc/29/88/78/171298878.db2.gz KKCGBHHBOSZEGW-CQSZACIVSA-N 0 3 271.408 3.993 50 0 CHAAHN COc1cc(CN2CCCC[C@@H]2C)ccc1OC(F)F ZINC000039985824 174181655 /nfs/dbraw/zinc/18/16/55/174181655.db2.gz IGOJHVDSCRRAHG-NSHDSACASA-N 0 3 285.334 3.671 50 0 CHAAHN CC(C)[C@@H](NCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000039985618 174181888 /nfs/dbraw/zinc/18/18/88/174181888.db2.gz ANKACNPMXRAYMJ-LJQANCHMSA-N 0 3 297.398 3.945 50 0 CHAAHN Cc1noc(C)c1CN1CCC[C@@H]1c1cccs1 ZINC000044871232 175268817 /nfs/dbraw/zinc/26/88/17/175268817.db2.gz BJLCPHUITFRCGN-CYBMUJFWSA-N 0 3 262.378 3.690 50 0 CHAAHN CN(Cc1cc(-c2cccnc2)no1)C[C@H]1CC=CCC1 ZINC000077287596 177249658 /nfs/dbraw/zinc/24/96/58/177249658.db2.gz XEPPTQCOXBVISK-AWEZNQCLSA-N 0 3 283.375 3.525 50 0 CHAAHN CN(Cc1cccs1)C[C@H]1CCN(c2ccccc2)C1 ZINC000077323129 177252376 /nfs/dbraw/zinc/25/23/76/177252376.db2.gz XHHYFCMWBQYGJP-OAHLLOKOSA-N 0 3 286.444 3.706 50 0 CHAAHN Cc1ccc([C@H](NC2CCOCC2)c2cccnc2)cc1C ZINC000534631019 328331323 /nfs/dbraw/zinc/33/13/23/328331323.db2.gz FHLBISIRQZTILH-IBGZPJMESA-N 0 3 296.414 3.556 50 0 CHAAHN CCSC[C@H](C)NCc1cc(-c2ccc(F)cc2)no1 ZINC000534641475 328336268 /nfs/dbraw/zinc/33/62/68/328336268.db2.gz CKYIXSVKVQOQRE-NSHDSACASA-N 0 3 294.395 3.712 50 0 CHAAHN O[C@H](CNCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000019872049 326857608 /nfs/dbraw/zinc/85/76/08/326857608.db2.gz ICQOIJORMATPJZ-OAHLLOKOSA-N 0 3 296.197 3.817 50 0 CHAAHN CC(C)[C@H](NC[C@@H]1CC=CCC1)c1nc(C2CC2)no1 ZINC000122949979 519820723 /nfs/dbraw/zinc/82/07/23/519820723.db2.gz JSERQIRYJMGKNG-OCCSQVGLSA-N 0 3 275.396 3.590 50 0 CHAAHN CCN(CC)CCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000019872521 520686562 /nfs/dbraw/zinc/68/65/62/520686562.db2.gz QVKMLSFTEDTHLE-UHFFFAOYSA-N 0 3 290.382 3.517 50 0 CHAAHN Cc1c(Cl)cccc1-c1ccc(CNCCN(C)C)o1 ZINC000019872344 525751165 /nfs/dbraw/zinc/75/11/65/525751165.db2.gz LBOAWNNPWBTDQF-UHFFFAOYSA-N 0 3 292.810 3.560 50 0 CHAAHN Cc1nc[nH]c1CN1CCC[C@@H](CCc2ccccc2C)C1 ZINC000012316635 527212062 /nfs/dbraw/zinc/21/20/62/527212062.db2.gz NNVMXJYTVORANY-KRWDZBQOSA-N 0 3 297.446 3.871 50 0 CHAAHN CC[C@@H](C)N(Cc1ccsc1)C[C@H](O)COC(C)(C)C ZINC000036099387 566992967 /nfs/dbraw/zinc/99/29/67/566992967.db2.gz YOFBTXGSANEOPO-HIFRSBDPSA-N 0 3 299.480 3.525 50 0 CHAAHN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)CC(F)(F)F ZINC000134912071 567929605 /nfs/dbraw/zinc/92/96/05/567929605.db2.gz YGYKRTPNDDCTIZ-VHSXEESVSA-N 0 3 291.361 3.938 50 0 CHAAHN C[C@H]1[C@H](O)[C@H](C)[C@@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000239305970 566965851 /nfs/dbraw/zinc/96/58/51/566965851.db2.gz GGCLDJYYOISOSI-ACJWMLNOSA-N 0 3 281.399 3.705 50 0 CHAAHN CCN(CC)Cc1ccccc1NC(=O)c1ccccc1 ZINC000046339666 566976755 /nfs/dbraw/zinc/97/67/55/566976755.db2.gz MRADVHYFZMOFAN-UHFFFAOYSA-N 0 3 282.387 3.781 50 0 CHAAHN CC(C)c1nnc(-c2ccc([C@@H](C)N(C)C)cc2)s1 ZINC000426722663 566990212 /nfs/dbraw/zinc/99/02/12/566990212.db2.gz QMOZCGQVQQLNHI-LLVKDONJSA-N 0 3 275.421 3.951 50 0 CHAAHN CC[C@@](C)(NCC[C@H]1CCCCO1)c1nc(C)cs1 ZINC000170076839 567006124 /nfs/dbraw/zinc/00/61/24/567006124.db2.gz QQIAVNYMQSXZIM-UKRRQHHQSA-N 0 3 282.453 3.626 50 0 CHAAHN C[C@H](N[C@H]1CCC[C@@H]1c1ccc(F)cc1)c1cnccn1 ZINC000090100488 567032902 /nfs/dbraw/zinc/03/29/02/567032902.db2.gz RNEWVPWFYIIHIL-MAZHCROVSA-N 0 3 285.366 3.603 50 0 CHAAHN Cc1cc2oc(=O)cc(CN3CCCC[C@H]3C)c2cc1C ZINC000002328720 567100780 /nfs/dbraw/zinc/10/07/80/567100780.db2.gz RYRCCGJUKBRKPO-CQSZACIVSA-N 0 3 285.387 3.784 50 0 CHAAHN Cc1noc(C)c1CCN[C@H](CC(C)C)c1ccccn1 ZINC000095422127 567130906 /nfs/dbraw/zinc/13/09/06/567130906.db2.gz YSEASXYLTLHARB-QGZVFWFLSA-N 0 3 287.407 3.606 50 0 CHAAHN CCc1nc(CCN[C@H](C)c2ccco2)sc1C ZINC000095421591 567131070 /nfs/dbraw/zinc/13/10/70/567131070.db2.gz KBIAOIXZYQUTMX-SNVBAGLBSA-N 0 3 264.394 3.500 50 0 CHAAHN C[C@H](NCC1(c2cccs2)CCCC1)c1cnccn1 ZINC000095421411 567132404 /nfs/dbraw/zinc/13/24/04/567132404.db2.gz ANJAGBBPAHMPKU-ZDUSSCGKSA-N 0 3 287.432 3.701 50 0 CHAAHN Cc1nc(CCN[C@@H](c2ccc(F)cn2)C(C)C)cs1 ZINC000095466840 567136708 /nfs/dbraw/zinc/13/67/08/567136708.db2.gz FHBRVPAJVUWYQZ-OAHLLOKOSA-N 0 3 293.411 3.515 50 0 CHAAHN Cc1ccccc1[C@@H]1[C@H](C)CCC[C@H]1OCCN(C)C ZINC000230213545 567160884 /nfs/dbraw/zinc/16/08/84/567160884.db2.gz MBPBUYNCPNBLHG-NXHRZFHOSA-N 0 3 275.436 3.845 50 0 CHAAHN CNCc1ccccc1Sc1ccc(OC)cc1 ZINC000000011294 567816599 /nfs/dbraw/zinc/81/65/99/567816599.db2.gz MZFMWBVFRIBICR-UHFFFAOYSA-N 0 3 259.374 3.566 50 0 CHAAHN COc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000000128534 567819533 /nfs/dbraw/zinc/81/95/33/567819533.db2.gz JRAMFTJOIYKHIM-UHFFFAOYSA-N 0 3 296.414 3.772 50 0 CHAAHN CCC[C@@]1(c2cccc(OC(C)C)c2)CCN(C)C1 ZINC000096027467 567836745 /nfs/dbraw/zinc/83/67/45/567836745.db2.gz SASPIDXJSZVDCG-QGZVFWFLSA-N 0 3 261.409 3.847 50 0 CHAAHN CN(C)CCO[C@H]1c2ccccc2CSc2ccccc21 ZINC000003640775 567853222 /nfs/dbraw/zinc/85/32/22/567853222.db2.gz ILKVRKZECSOYMM-SFHVURJKSA-N 0 3 299.439 3.960 50 0 CHAAHN Cc1ccc(CN2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000004980592 567859194 /nfs/dbraw/zinc/85/91/94/567859194.db2.gz LORZPHVUVIUFIS-UHFFFAOYSA-N 0 3 294.442 3.934 50 0 CHAAHN Cc1cccc(C)c1Oc1ncccc1CNC(C)C ZINC000012308982 567862530 /nfs/dbraw/zinc/86/25/30/567862530.db2.gz YZNBZMOHAMMWNK-UHFFFAOYSA-N 0 3 270.376 3.989 50 0 CHAAHN N=C(Nc1ccc(Br)cc1)c1ccccc1 ZINC000015919603 567871866 /nfs/dbraw/zinc/87/18/66/567871866.db2.gz KISLNXLIXJPKKE-UHFFFAOYSA-N 0 3 275.149 3.887 50 0 CHAAHN Cc1ccc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000016193425 567872138 /nfs/dbraw/zinc/87/21/38/567872138.db2.gz BSCUWRHXLUUACY-CALCHBBNSA-N 0 3 291.435 3.572 50 0 CHAAHN O[C@@H](CNCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000019872047 567879625 /nfs/dbraw/zinc/87/96/25/567879625.db2.gz ICQOIJORMATPJZ-HNNXBMFYSA-N 0 3 296.197 3.817 50 0 CHAAHN CCCCC(=O)NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000028291883 567883392 /nfs/dbraw/zinc/88/33/92/567883392.db2.gz ZIEQJYRJCBGBSX-KRWDZBQOSA-N 0 3 288.435 3.520 50 0 CHAAHN Nc1c2c(nc3cccc(F)c13)N(c1ccccc1)CC2 ZINC000004623589 567894493 /nfs/dbraw/zinc/89/44/93/567894493.db2.gz QEXNRITWQOKEBQ-UHFFFAOYSA-N 0 3 279.318 3.650 50 0 CHAAHN c1ccc2ncc(-c3ccc(CN4CCCC4)cn3)cc2c1 ZINC000065396899 567899046 /nfs/dbraw/zinc/89/90/46/567899046.db2.gz MVYPFXHOKCXZPK-UHFFFAOYSA-N 0 3 289.382 3.893 50 0 CHAAHN Cc1cnc(C)c(Oc2ccccc2CN2CCCCC2)n1 ZINC000067770018 567900524 /nfs/dbraw/zinc/90/05/24/567900524.db2.gz UFBJHHGDOFQVKS-UHFFFAOYSA-N 0 3 297.402 3.872 50 0 CHAAHN Cc1cc(N2CCC3(CCCO3)CC2)c2ccccc2n1 ZINC000071748016 567901858 /nfs/dbraw/zinc/90/18/58/567901858.db2.gz WFEBPFXOXNVDCT-UHFFFAOYSA-N 0 3 282.387 3.693 50 0 CHAAHN CN1CCc2c1nc1ccccc1c2Nc1ccccc1 ZINC000071772793 567902242 /nfs/dbraw/zinc/90/22/42/567902242.db2.gz LACVDDNSKFALKP-UHFFFAOYSA-N 0 3 275.355 3.971 50 0 CHAAHN CN(C)CCOc1ccccc1-c1ccc2[nH]ccc2c1 ZINC000096150857 567909788 /nfs/dbraw/zinc/90/97/88/567909788.db2.gz YNYAYETVBAOOHZ-UHFFFAOYSA-N 0 3 280.371 3.775 50 0 CHAAHN CC(=O)Nc1sc2c(c1CN1CCCCC1)CCCC2 ZINC000000188911 567924650 /nfs/dbraw/zinc/92/46/50/567924650.db2.gz NDQLANSRWPQUOT-UHFFFAOYSA-N 0 3 292.448 3.571 50 0 CHAAHN Cc1cc(CNC[C@H](C)c2cccc(Cl)c2)on1 ZINC000188263473 567931616 /nfs/dbraw/zinc/93/16/16/567931616.db2.gz YKLVKIQTJVQJGZ-JTQLQIEISA-N 0 3 264.756 3.530 50 0 CHAAHN Cc1ccc(CC2Sc3nc4ccccc4n3C2=O)cc1 ZINC000000547001 567942975 /nfs/dbraw/zinc/94/29/75/567942975.db2.gz DUANDLHVNYKVNR-HNNXBMFYSA-N 0 3 294.379 3.702 50 0 CHAAHN Cc1cc(C)cc(CN[C@H](CN(C)C)c2ccccc2)c1 ZINC000049900533 567946732 /nfs/dbraw/zinc/94/67/32/567946732.db2.gz CLEJVXUTFXKMCI-LJQANCHMSA-N 0 3 282.431 3.696 50 0 CHAAHN Cc1n[nH]c(C)c1CN[C@H]1CCCCc2ccccc21 ZINC000225480005 567953618 /nfs/dbraw/zinc/95/36/18/567953618.db2.gz MUNOEHIQUHMUQD-KRWDZBQOSA-N 0 3 269.392 3.584 50 0 CHAAHN O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000011879746 570220710 /nfs/dbraw/zinc/22/07/10/570220710.db2.gz KFDBIWMJGIWFNG-CYBMUJFWSA-N 0 3 277.795 3.787 50 0 CHAAHN C/C(=C\c1ccco1)CN(C)[C@@H](C)Cc1ccccn1 ZINC000065531741 570244373 /nfs/dbraw/zinc/24/43/73/570244373.db2.gz JYLLYGCUNMLEOS-GOFCXVBSSA-N 0 3 270.376 3.641 50 0 CHAAHN CC[C@@H](N)C(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000129503117 570269235 /nfs/dbraw/zinc/26/92/35/570269235.db2.gz XCFJBCVSMVGXHZ-SCLBCKFNSA-N 0 3 296.414 3.629 50 0 CHAAHN Clc1cccc(CN2c3ccccc3N3CCN=C23)c1 ZINC000220968775 570310922 /nfs/dbraw/zinc/31/09/22/570310922.db2.gz MEKORBXMKLKSSR-UHFFFAOYSA-N 0 3 283.762 3.536 50 0 CHAAHN Cc1nccn1CCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000244811494 570320788 /nfs/dbraw/zinc/32/07/88/570320788.db2.gz SDTOGCXUMXSOFT-QGZVFWFLSA-N 0 3 287.382 3.558 50 0 CHAAHN Cc1n[nH]cc1CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000037119209 570362623 /nfs/dbraw/zinc/36/26/23/570362623.db2.gz RHYQFWXQSWYBTH-OAHLLOKOSA-N 0 3 275.371 3.734 50 0 CHAAHN Cc1cc(C)c2oc(=O)cc(CN3CCC(C)CC3)c2c1 ZINC000002196553 570375504 /nfs/dbraw/zinc/37/55/04/570375504.db2.gz FRTLAQPYRXAGJC-UHFFFAOYSA-N 0 3 285.387 3.642 50 0 CHAAHN CCn1ccnc1[C@@H]1CCCCN1CCc1ccc(C)cc1 ZINC000253430928 570385718 /nfs/dbraw/zinc/38/57/18/570385718.db2.gz YLIJJKMXTWJCNY-SFHVURJKSA-N 0 3 297.446 3.981 50 0 CHAAHN Cc1nc(C)c(CNCc2ccc3nc(C)ccc3c2)s1 ZINC000225464368 570393975 /nfs/dbraw/zinc/39/39/75/570393975.db2.gz RCIJCBYEBOOJTR-UHFFFAOYSA-N 0 3 297.427 3.906 50 0 CHAAHN CC[C@@H](C)Oc1cccc(CNCc2cccc(CO)c2)c1 ZINC000952966716 615464275 /nfs/dbraw/zinc/46/42/75/615464275.db2.gz FRHFXJYVLUTZMU-OAHLLOKOSA-N 0 3 299.414 3.646 50 0 CHAAHN CCc1ccc([C@H](C)NCCCc2c(C)noc2C)o1 ZINC000095969136 185048159 /nfs/dbraw/zinc/04/81/59/185048159.db2.gz WMKHJBYJDBIMNO-LBPRGKRZSA-N 0 3 276.380 3.730 50 0 CHAAHN CC[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccncc1 ZINC000096478350 529660993 /nfs/dbraw/zinc/66/09/93/529660993.db2.gz SUYUUTMRVMSOHG-DLBZAZTESA-N 0 3 270.351 3.949 50 0 CHAAHN CCc1ccc([C@H](C)N[C@@H]2CCO[C@]3(CCSC3)C2)o1 ZINC000090542106 180001039 /nfs/dbraw/zinc/00/10/39/180001039.db2.gz ZZDNZXRLQJBYGM-WOSRLPQWSA-N 0 3 295.448 3.547 50 0 CHAAHN CCC1CCC(N2CCN(c3ccccc3F)CC2)CC1 ZINC000000214256 134522723 /nfs/dbraw/zinc/52/27/23/134522723.db2.gz JBVPUFQXURRXSK-UHFFFAOYSA-N 0 3 290.426 3.917 50 0 CHAAHN CCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942969 170043774 /nfs/dbraw/zinc/04/37/74/170043774.db2.gz BWONXQSHDZNSMM-UHFFFAOYSA-N 0 3 253.704 3.849 50 0 CHAAHN C[C@@H](NC(CC(F)(F)F)=Nc1cccnc1)C(C)(C)C ZINC000005570362 170115081 /nfs/dbraw/zinc/11/50/81/170115081.db2.gz ZAKRVLZORBUQLP-BKLZJWBFSA-N 0 3 287.329 3.921 50 0 CHAAHN c1ccc(COc2ccc(CNC[C@@H]3CCCO3)cc2)cc1 ZINC000005999257 170166750 /nfs/dbraw/zinc/16/67/50/170166750.db2.gz IDLYQRWYDXBNSN-IBGZPJMESA-N 0 3 297.398 3.534 50 0 CHAAHN Fc1ccccc1COc1cccc(CNC2CC2)c1 ZINC000006703371 170230302 /nfs/dbraw/zinc/23/03/02/170230302.db2.gz LDIBONMJJKSJQS-UHFFFAOYSA-N 0 3 271.335 3.657 50 0 CHAAHN CCOc1ccc(CN[C@H](C)c2ccccc2)cc1OC ZINC000008324727 170331437 /nfs/dbraw/zinc/33/14/37/170331437.db2.gz SIHDTZGLXNRBNZ-CQSZACIVSA-N 0 3 285.387 3.945 50 0 CHAAHN CC[C@H](CCNCc1ccc(C)o1)NCc1ccc(C)o1 ZINC000008481608 170337422 /nfs/dbraw/zinc/33/74/22/170337422.db2.gz DLQMXCFABCMHSV-OAHLLOKOSA-N 0 3 290.407 3.538 50 0 CHAAHN Cc1ccc(C)c2c(=O)c(CN3CCCCC3)c(C)[nH]c12 ZINC000008717476 170349375 /nfs/dbraw/zinc/34/93/75/170349375.db2.gz SCQHOIWXLYEMOP-UHFFFAOYSA-N 0 3 284.403 3.852 50 0 CHAAHN CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)NCC2 ZINC000020506945 171228813 /nfs/dbraw/zinc/22/88/13/171228813.db2.gz DRUZNOUZPRHPOS-IBGZPJMESA-N 0 3 297.398 3.719 50 0 CHAAHN C[C@@H](Cc1ccco1)NCc1cc2ccccc2o1 ZINC000035254709 172083950 /nfs/dbraw/zinc/08/39/50/172083950.db2.gz VFWJSVVAJLCPIL-LBPRGKRZSA-N 0 3 255.317 3.747 50 0 CHAAHN O=C(Nc1cccc(CN2CCCC2)c1)c1ccccc1F ZINC000040086932 174188295 /nfs/dbraw/zinc/18/82/95/174188295.db2.gz QKJPHKPKAOEOJZ-UHFFFAOYSA-N 0 3 298.361 3.674 50 0 CHAAHN CC[C@@H]1CN(Cc2ccc(Cl)cc2F)CCN1C(C)C ZINC000072130667 176321395 /nfs/dbraw/zinc/32/13/95/176321395.db2.gz ZOEKNZBEPVHGCM-OAHLLOKOSA-N 0 3 298.833 3.784 50 0 CHAAHN c1cc(C2CCN(Cc3ccccn3)CC2)cs1 ZINC000186946226 262117668 /nfs/dbraw/zinc/11/76/68/262117668.db2.gz XTUFRFWRAXBMLB-UHFFFAOYSA-N 0 3 258.390 3.523 50 0 CHAAHN CCSC[C@@H](C)NCc1cc(-c2ccc(F)cc2)no1 ZINC000534641474 328336378 /nfs/dbraw/zinc/33/63/78/328336378.db2.gz CKYIXSVKVQOQRE-LLVKDONJSA-N 0 3 294.395 3.712 50 0 CHAAHN C[C@H](NCc1ccc(Cl)cc1)[C@@H](O)c1ccccc1 ZINC000019871875 326857550 /nfs/dbraw/zinc/85/75/50/326857550.db2.gz IIIZQVIHVSROJK-BLLLJJGKSA-N 0 3 275.779 3.552 50 0 CHAAHN CC(C)Oc1ccc(C(=O)CCN2CCCCC2)cc1 ZINC000004257985 528136712 /nfs/dbraw/zinc/13/67/12/528136712.db2.gz ZHTPWMDZZZQREU-UHFFFAOYSA-N 0 3 275.392 3.533 50 0 CHAAHN C[C@H](NCc1ccc(Cl)cc1)[C@H](O)c1ccccc1 ZINC000019871879 566891026 /nfs/dbraw/zinc/89/10/26/566891026.db2.gz IIIZQVIHVSROJK-LRDDRELGSA-N 0 3 275.779 3.552 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CN[C@@H](C)CCCO)o1 ZINC000088762894 566934803 /nfs/dbraw/zinc/93/48/03/566934803.db2.gz NELXIZGKGOGABA-LBPRGKRZSA-N 0 3 291.366 3.645 50 0 CHAAHN Clc1cnccc1CN1CC[C@@H](c2ccccc2)C1 ZINC000075675331 566974253 /nfs/dbraw/zinc/97/42/53/566974253.db2.gz FIHGQVFGNCFHEP-CQSZACIVSA-N 0 3 272.779 3.725 50 0 CHAAHN C[C@@H]1CCCCN1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000002213938 567067601 /nfs/dbraw/zinc/06/76/01/567067601.db2.gz GRWSKCGTQJOOEF-CYBMUJFWSA-N 0 3 297.398 3.656 50 0 biogenic CHAAHN C[C@H]1CCCCN1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000002213936 567068389 /nfs/dbraw/zinc/06/83/89/567068389.db2.gz GRWSKCGTQJOOEF-ZDUSSCGKSA-N 0 3 297.398 3.656 50 0 biogenic CHAAHN CSc1ccc(CN[C@@H](C)c2c(C)nn(C)c2C)cc1 ZINC000253422974 567098260 /nfs/dbraw/zinc/09/82/60/567098260.db2.gz ODKUFFQXYZSGOI-NSHDSACASA-N 0 3 289.448 3.610 50 0 CHAAHN Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)c2ccccc2n1 ZINC000095458014 567133692 /nfs/dbraw/zinc/13/36/92/567133692.db2.gz ZFRBPGDWGDAJRV-UONOGXRCSA-N 0 3 270.376 3.770 50 0 CHAAHN CCN(CC)[C@H](C)C(=O)C12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000027988323 567146833 /nfs/dbraw/zinc/14/68/33/567146833.db2.gz RWYVMAIKRGMMHS-HCBPCCMXSA-N 0 3 277.452 3.892 50 0 CHAAHN CCCOc1ccc(C(=O)CCN2CCCCCC2)cc1 ZINC000003068309 567160378 /nfs/dbraw/zinc/16/03/78/567160378.db2.gz XJLSIHLNCRSPKR-UHFFFAOYSA-N 0 3 289.419 3.924 50 0 CHAAHN CN(C)CCNc1cc(-c2cccs2)nc2ccccc21 ZINC000000088020 567817853 /nfs/dbraw/zinc/81/78/53/567817853.db2.gz SHDLOADGXCJRFC-UHFFFAOYSA-N 0 3 297.427 3.937 50 0 CHAAHN CCC1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000000182558 567821845 /nfs/dbraw/zinc/82/18/45/567821845.db2.gz LMKHMHFWSATOFO-UHFFFAOYSA-N 0 3 290.426 3.917 50 0 CHAAHN COc1cccc(Sc2ccc(CN(C)C)cc2)c1 ZINC000000346791 567825939 /nfs/dbraw/zinc/82/59/39/567825939.db2.gz ZQBXXCZHLWQSDA-UHFFFAOYSA-N 0 3 273.401 3.908 50 0 CHAAHN O=C(c1ccccc1)c1ccc(CN2CCCC2)cc1 ZINC000002514544 567846290 /nfs/dbraw/zinc/84/62/90/567846290.db2.gz ATSFRKNYZQYHSN-UHFFFAOYSA-N 0 3 265.356 3.513 50 0 CHAAHN CN(C)Cc1cc2ccc1CCc1ccc(cc1)CC2 ZINC000004530417 567857845 /nfs/dbraw/zinc/85/78/45/567857845.db2.gz HAYOWNBKGQFXIH-UHFFFAOYSA-N 0 3 265.400 3.632 50 0 CHAAHN CCOc1c(Cl)cc(Cl)cc1CNC(C)C ZINC000010436185 567861522 /nfs/dbraw/zinc/86/15/22/567861522.db2.gz PUOGUYVXXZKTFV-UHFFFAOYSA-N 0 3 262.180 3.890 50 0 CHAAHN Cc1cc(C)c2oc(=O)cc(CN3CCCC[C@@H]3C)c2c1 ZINC000004340538 567863335 /nfs/dbraw/zinc/86/33/35/567863335.db2.gz VWTDWWJXPHNTEY-AWEZNQCLSA-N 0 3 285.387 3.784 50 0 CHAAHN Fc1ccccc1-c1cc([C@@H]2CCCCCN2)on1 ZINC000013566800 567866588 /nfs/dbraw/zinc/86/65/88/567866588.db2.gz KBRWJJFDVOZCAC-ZDUSSCGKSA-N 0 3 260.312 3.685 50 0 CHAAHN CCOc1ccc([C@H](N)c2ccccc2Cl)cc1 ZINC000019967411 567880403 /nfs/dbraw/zinc/88/04/03/567880403.db2.gz KSGHJSOUOLCSCO-HNNXBMFYSA-N 0 3 261.752 3.787 50 0 CHAAHN CSc1[nH]c2ccccc2c1CN1CCCCC1 ZINC000020031808 567880450 /nfs/dbraw/zinc/88/04/50/567880450.db2.gz RLUSXHNRANXXDK-UHFFFAOYSA-N 0 3 260.406 3.876 50 0 CHAAHN N[C@H](c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl ZINC000019970950 567880455 /nfs/dbraw/zinc/88/04/55/567880455.db2.gz QDAAUAUXWSKBJM-OAHLLOKOSA-N 0 3 294.181 3.976 50 0 CHAAHN Cc1ccc(Cc2cnc(C[NH+]3CCCCC3)c([O-])c2)cc1 ZINC000000321197 567887582 /nfs/dbraw/zinc/88/75/82/567887582.db2.gz NVHMLKDFDKFDBY-UHFFFAOYSA-N 0 3 296.414 3.672 50 0 CHAAHN Fc1cccc([C@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000019300568 567887787 /nfs/dbraw/zinc/88/77/87/567887787.db2.gz XRGMJPZNCWYTRL-MRXNPFEDSA-N 0 3 266.319 3.542 50 0 biogenic CHAAHN C/C(=C\c1ccco1)CN(C)[C@H](C)c1cccnc1 ZINC000065428284 567899295 /nfs/dbraw/zinc/89/92/95/567899295.db2.gz RSGQWUAJUMKKQW-JWAFFJSPSA-N 0 3 256.349 3.771 50 0 CHAAHN Cc1cc(C)n([C@@H]2CCN(Cc3cc4ccccc4o3)C2)n1 ZINC000065435940 567899298 /nfs/dbraw/zinc/89/92/98/567899298.db2.gz XBBHMHKTUFGFCD-MRXNPFEDSA-N 0 3 295.386 3.693 50 0 CHAAHN Cc1ccc([C@H](C)NCCC(=O)Nc2ccccc2C)o1 ZINC000097111290 567904711 /nfs/dbraw/zinc/90/47/11/567904711.db2.gz RFTWKCWWIXIVSH-AWEZNQCLSA-N 0 3 286.375 3.576 50 0 CHAAHN COC[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000056908402 567905860 /nfs/dbraw/zinc/90/58/60/567905860.db2.gz LMGCIQCANFXRPV-ZDUSSCGKSA-N 0 3 287.325 3.564 50 0 CHAAHN CN(Cc1ccc([C@@H]2CCCCO2)o1)C1CCSCC1 ZINC000097570880 567910971 /nfs/dbraw/zinc/91/09/71/567910971.db2.gz CDTOAPLFAHEXBN-HNNXBMFYSA-N 0 3 295.448 3.849 50 0 CHAAHN CC(C)COc1ccc(C(=O)CCN2CCCCC2)cc1 ZINC000000340681 567926966 /nfs/dbraw/zinc/92/69/66/567926966.db2.gz ZOQKGTTZAAQHHZ-UHFFFAOYSA-N 0 3 289.419 3.780 50 0 CHAAHN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)CC(F)(F)F ZINC000134912112 567929336 /nfs/dbraw/zinc/92/93/36/567929336.db2.gz YGYKRTPNDDCTIZ-NXEZZACHSA-N 0 3 291.361 3.938 50 0 CHAAHN O=C(CCN1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000000177653 567935448 /nfs/dbraw/zinc/93/54/48/567935448.db2.gz RYCCFHYTRHTQGU-SFHVURJKSA-N 0 3 279.383 3.749 50 0 CHAAHN CC(C)(C)c1ccc(OCCN2CCCCC2)cc1 ZINC000004989872 567938321 /nfs/dbraw/zinc/93/83/21/567938321.db2.gz OXDMGSINDGYSSU-UHFFFAOYSA-N 0 3 261.409 3.849 50 0 CHAAHN CC(=O)Nc1ccc(CN[C@H](C)c2ccccc2C)cc1 ZINC000014168490 567942551 /nfs/dbraw/zinc/94/25/51/567942551.db2.gz DRIPMRJSCSTJNN-CQSZACIVSA-N 0 3 282.387 3.804 50 0 CHAAHN COc1ccc(CC[C@H](C)NCc2ccccc2F)cc1 ZINC000023280907 567948546 /nfs/dbraw/zinc/94/85/46/567948546.db2.gz CQWQMPNHOVSUTC-AWEZNQCLSA-N 0 3 287.378 3.945 50 0 CHAAHN C[C@H]1Cc2ccccc2CN1CCCC(=O)OC(C)(C)C ZINC000225519156 567954048 /nfs/dbraw/zinc/95/40/48/567954048.db2.gz AFYLARMYIVYNDO-AWEZNQCLSA-N 0 3 289.419 3.555 50 0 CHAAHN OCc1ccc(CN2CCC[C@H](CCc3ccccc3)C2)o1 ZINC000011874839 570220620 /nfs/dbraw/zinc/22/06/20/570220620.db2.gz XYWIVKCJZUMXCS-QGZVFWFLSA-N 0 3 299.414 3.617 50 0 CHAAHN CN(CCOC1CCCCC1)CCOC1CCCCC1 ZINC000025559102 570230729 /nfs/dbraw/zinc/23/07/29/570230729.db2.gz FEGGAMGPNYYUJE-UHFFFAOYSA-N 0 3 283.456 3.617 50 0 CHAAHN Cc1ccc(O)c(CN(Cc2ccco2)[C@@H](C)C(C)C)n1 ZINC000055393683 570243144 /nfs/dbraw/zinc/24/31/44/570243144.db2.gz SXRYYJURSAFUCL-AWEZNQCLSA-N 0 3 288.391 3.735 50 0 CHAAHN Cc1ccc([O-])c(C[N@@H+](Cc2ccco2)[C@@H](C)C(C)C)n1 ZINC000055393683 570243147 /nfs/dbraw/zinc/24/31/47/570243147.db2.gz SXRYYJURSAFUCL-AWEZNQCLSA-N 0 3 288.391 3.735 50 0 CHAAHN Cc1ccc([O-])c(C[N@H+](Cc2ccco2)[C@@H](C)C(C)C)n1 ZINC000055393683 570243149 /nfs/dbraw/zinc/24/31/49/570243149.db2.gz SXRYYJURSAFUCL-AWEZNQCLSA-N 0 3 288.391 3.735 50 0 CHAAHN CN(CC[C@H]1CCCCO1)Cc1ccc(F)c(Cl)c1 ZINC000215986401 570304728 /nfs/dbraw/zinc/30/47/28/570304728.db2.gz WHWOMVRWIWUUEW-CYBMUJFWSA-N 0 3 285.790 3.870 50 0 CHAAHN COCC[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000215848871 570304196 /nfs/dbraw/zinc/30/41/96/570304196.db2.gz ZRFZSHSDZQPUBQ-WPTTZPOMSA-N 0 3 277.383 3.587 50 0 CHAAHN O[C@H](CNCc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000035111609 570339436 /nfs/dbraw/zinc/33/94/36/570339436.db2.gz NZWXINLHBKTCLN-OAHLLOKOSA-N 0 3 295.304 3.529 50 0 CHAAHN Cc1n[nH]cc1CN[C@@H](c1cccs1)C1CCCC1 ZINC000037128919 570362893 /nfs/dbraw/zinc/36/28/93/570362893.db2.gz LCGQRBWRJVEKIL-OAHLLOKOSA-N 0 3 275.421 3.801 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CN[C@@H](C)[C@@H](C)CO)o1 ZINC000077420732 570404937 /nfs/dbraw/zinc/40/49/37/570404937.db2.gz UHFIKTIOBBEJTC-AAEUAGOBSA-N 0 3 291.366 3.501 50 0 CHAAHN CCn1ccc(CN[C@@H](C)CC(C)(C)c2ccccc2)n1 ZINC000414214437 1119942628 /nfs/dbraw/zinc/94/26/28/1119942628.db2.gz WFKUQSYKGDPTCB-HNNXBMFYSA-N 0 3 285.435 3.749 50 0 CHAAHN CO[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000509149196 1120674884 /nfs/dbraw/zinc/67/48/84/1120674884.db2.gz CLUYUUIKWWHKGO-GOSISDBHSA-N 0 3 289.419 3.619 50 0 CHAAHN C[C@@]12C[C@@H](CC(C)(C)C1)N(Cc1nccn1C1CC1)C2 ZINC000252481451 1121653375 /nfs/dbraw/zinc/65/33/75/1121653375.db2.gz CMKKXGMOSWKVLF-RHSMWYFYSA-N 0 3 273.424 3.619 50 0 CHAAHN O=C(C[C@@H]1C=CCC1)Nc1ccccc1CN1CCCC1 ZINC000828075108 1129373056 /nfs/dbraw/zinc/37/30/56/1129373056.db2.gz LSSILCAAVZJITP-OAHLLOKOSA-N 0 3 284.403 3.577 50 0 CHAAHN C[C@@H](NCc1cnc(-c2ccccn2)nc1)C1=CCCCC1 ZINC000952869111 1132015577 /nfs/dbraw/zinc/01/55/77/1132015577.db2.gz XIAPBQBWHZRMIO-CQSZACIVSA-N 0 3 294.402 3.517 50 0 CHAAHN Cc1n[nH]c(C)c1CN[C@@H](CC(C)(C)C)c1cccnc1 ZINC000952976069 1132016946 /nfs/dbraw/zinc/01/69/46/1132016946.db2.gz DQKZDZSMXIRQIE-INIZCTEOSA-N 0 3 286.423 3.689 50 0 CHAAHN c1nc([C@H](NC2CCCCCCC2)c2ccccc2)n[nH]1 ZINC000095940859 185035988 /nfs/dbraw/zinc/03/59/88/185035988.db2.gz AUCQOMSNKYSNHZ-MRXNPFEDSA-N 0 3 284.407 3.597 50 0 CHAAHN c1nnc([C@H]([NH2+]C2CCCCCCC2)c2ccccc2)[n-]1 ZINC000095940859 185035991 /nfs/dbraw/zinc/03/59/91/185035991.db2.gz AUCQOMSNKYSNHZ-MRXNPFEDSA-N 0 3 284.407 3.597 50 0 CHAAHN c1nnc([C@H](NC2CCCCCCC2)c2ccccc2)[nH]1 ZINC000095940859 185035993 /nfs/dbraw/zinc/03/59/93/185035993.db2.gz AUCQOMSNKYSNHZ-MRXNPFEDSA-N 0 3 284.407 3.597 50 0 CHAAHN Cc1ccsc1[C@H](C)NCc1ccc([S@@](C)=O)cc1 ZINC000090221402 179935695 /nfs/dbraw/zinc/93/56/95/179935695.db2.gz CADFGZXNISJCCV-BUXKBTBVSA-N 0 3 293.457 3.645 50 0 CHAAHN COc1ccnc(CN2CCC[C@@H]2c2ccccc2C)c1 ZINC000106933638 186153051 /nfs/dbraw/zinc/15/30/51/186153051.db2.gz LCHBMZMJMNPJHM-GOSISDBHSA-N 0 3 282.387 3.736 50 0 CHAAHN C[C@H](CN(C)Cc1cccc(F)c1)c1nccs1 ZINC000183975744 189373681 /nfs/dbraw/zinc/37/36/81/189373681.db2.gz YGJVOFZXRSGYRW-LLVKDONJSA-N 0 3 264.369 3.518 50 0 CHAAHN Cc1cscc1CN[C@H]1CCCc2ccc(O)cc21 ZINC000225452115 189752040 /nfs/dbraw/zinc/75/20/40/189752040.db2.gz NTCAPZHRYKJTLI-INIZCTEOSA-N 0 3 273.401 3.929 50 0 CHAAHN CCC(=O)c1ccccc1OCCCN1CCC(C)CC1 ZINC000004842239 170028259 /nfs/dbraw/zinc/02/82/59/170028259.db2.gz UFPPIFKRHJEXDL-UHFFFAOYSA-N 0 3 289.419 3.780 50 0 CHAAHN CCOc1ccc(OCCN(C)Cc2ccccc2)cc1 ZINC000004913124 170040422 /nfs/dbraw/zinc/04/04/22/170040422.db2.gz IENYSTZWERREFN-UHFFFAOYSA-N 0 3 285.387 3.596 50 0 CHAAHN Cc1ccc(Cl)c(OCCN2CCC[C@@H](C)C2)c1 ZINC000004912989 170040625 /nfs/dbraw/zinc/04/06/25/170040625.db2.gz BWBJSROSMCCHNC-CYBMUJFWSA-N 0 3 267.800 3.759 50 0 CHAAHN CN(CC(=O)Nc1ccc(Cl)cc1)C1CCCCC1 ZINC000004976654 170047863 /nfs/dbraw/zinc/04/78/63/170047863.db2.gz KZPYNAAHAXETPZ-UHFFFAOYSA-N 0 3 280.799 3.543 50 0 CHAAHN COc1ccc(CNCc2ccc(C)cc2C)cc1 ZINC000004997278 170052085 /nfs/dbraw/zinc/05/20/85/170052085.db2.gz AFLQILKWQPJYQV-UHFFFAOYSA-N 0 3 255.361 3.602 50 0 CHAAHN CCc1ccc(CNCc2ccc(OC)cc2)cc1 ZINC000005061206 170062467 /nfs/dbraw/zinc/06/24/67/170062467.db2.gz RWOHMHDHUUKDHW-UHFFFAOYSA-N 0 3 255.361 3.547 50 0 CHAAHN CN(C)Cc1ccccc1Cc1ccccc1Cl ZINC000005557619 170113107 /nfs/dbraw/zinc/11/31/07/170113107.db2.gz BMRVAVBZMVWNDP-UHFFFAOYSA-N 0 3 259.780 3.992 50 0 CHAAHN CN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000007796884 170303709 /nfs/dbraw/zinc/30/37/09/170303709.db2.gz LOAMHOUVUJPVJE-UHFFFAOYSA-N 0 3 277.371 3.601 50 0 CHAAHN Cc1cccc(OCCCCNCc2ccco2)c1 ZINC000008750529 170354296 /nfs/dbraw/zinc/35/42/96/170354296.db2.gz UQKVIGOBCSZDRN-UHFFFAOYSA-N 0 3 259.349 3.537 50 0 CHAAHN CC(=O)Nc1ccc(CNCc2ccc(Cl)cc2)cc1 ZINC000008751812 170354397 /nfs/dbraw/zinc/35/43/97/170354397.db2.gz AERUCKQGNSWOBU-UHFFFAOYSA-N 0 3 288.778 3.588 50 0 CHAAHN CCCCOc1ccc(CNCc2cccnc2)cc1 ZINC000019737634 170850883 /nfs/dbraw/zinc/85/08/83/170850883.db2.gz DZTYWTCDZGMALS-UHFFFAOYSA-N 0 3 270.376 3.550 50 0 CHAAHN Cc1scc(CN2CCN(C3CCCCC3)CC2)c1C ZINC000020514336 171231705 /nfs/dbraw/zinc/23/17/05/171231705.db2.gz SKROVHRMNCHBJP-UHFFFAOYSA-N 0 3 292.492 3.815 50 0 CHAAHN Cc1noc(C)c1CN1CCC(Cc2ccccc2)CC1 ZINC000020868281 171276829 /nfs/dbraw/zinc/27/68/29/171276829.db2.gz XUBUCXVKDOEEDZ-UHFFFAOYSA-N 0 3 284.403 3.746 50 0 CHAAHN Cc1ccsc1CNC[C@@H](c1ccco1)N1CCCC1 ZINC000022933774 171404156 /nfs/dbraw/zinc/40/41/56/171404156.db2.gz LPQXNRRIMRXDEP-AWEZNQCLSA-N 0 3 290.432 3.576 50 0 CHAAHN N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000037466576 173226667 /nfs/dbraw/zinc/22/66/67/173226667.db2.gz AILANKYWKDHJDG-ZDUSSCGKSA-N 0 3 280.140 3.636 50 0 CHAAHN Cc1ccccc1[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000072412049 176398803 /nfs/dbraw/zinc/39/88/03/176398803.db2.gz LXDYKMKGIZDHFK-MRXNPFEDSA-N 0 3 266.388 3.770 50 0 CHAAHN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@H](C)C1 ZINC000007787476 260028028 /nfs/dbraw/zinc/02/80/28/260028028.db2.gz KGAQXFONLOFKIA-GJZGRUSLSA-N 0 3 296.414 3.899 50 0 CHAAHN C[C@H](NCc1ccc(Oc2ccccc2)o1)[C@@H]1CCOC1 ZINC000096500130 533921750 /nfs/dbraw/zinc/92/17/50/533921750.db2.gz UJIQJUPLJAYXKB-UONOGXRCSA-N 0 3 287.359 3.587 50 0 CHAAHN Cc1ncc(CNCCCc2ccc(C(C)C)cc2)cn1 ZINC000344314694 534741759 /nfs/dbraw/zinc/74/17/59/534741759.db2.gz GRTJLYUHFFUERY-UHFFFAOYSA-N 0 3 283.419 3.631 50 0 CHAAHN CC[C@@H](C)NCc1cc(Cl)ccc1Br ZINC000085219860 567907262 /nfs/dbraw/zinc/90/72/62/567907262.db2.gz CODCTQSVVVCCFR-MRVPVSSYSA-N 0 3 276.605 3.991 50 0 CHAAHN C[C@H]1CN(CCCCOc2cccc(Cl)c2)C[C@H](C)O1 ZINC000020167294 566904771 /nfs/dbraw/zinc/90/47/71/566904771.db2.gz WPIVZRDEHDUZOB-KBPBESRZSA-N 0 3 297.826 3.608 50 0 CHAAHN C[C@H]1C(O)[C@H](C)[C@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000239305973 566965760 /nfs/dbraw/zinc/96/57/60/566965760.db2.gz GGCLDJYYOISOSI-DTTOXWODSA-N 0 3 281.399 3.705 50 0 CHAAHN Cc1n[nH]cc1CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000036975525 567009707 /nfs/dbraw/zinc/00/97/07/567009707.db2.gz SGDPLKHNXMFUKV-OAHLLOKOSA-N 0 3 277.799 3.858 50 0 CHAAHN c1cc(OC2CCCC2)ccc1N[C@H]1CN2CCC1CC2 ZINC000037016160 567009911 /nfs/dbraw/zinc/00/99/11/567009911.db2.gz QTRZWNKSZCFYFU-SFHVURJKSA-N 0 3 286.419 3.514 50 0 CHAAHN CC[C@H](NCCn1cc(C)cn1)c1cccc(Cl)c1 ZINC000089947854 567031017 /nfs/dbraw/zinc/03/10/17/567031017.db2.gz RKOQBXYGPHTPSD-HNNXBMFYSA-N 0 3 277.799 3.586 50 0 CHAAHN C[C@@H]1CCCN(Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000089929858 567031456 /nfs/dbraw/zinc/03/14/56/567031456.db2.gz YGFMNDDVMCISSZ-LLVKDONJSA-N 0 3 281.783 3.691 50 0 CHAAHN COc1ccc(OCCCN(C)Cc2ccccc2)cc1 ZINC000002822891 567036380 /nfs/dbraw/zinc/03/63/80/567036380.db2.gz DEBIVFJWACAHII-UHFFFAOYSA-N 0 3 285.387 3.596 50 0 CHAAHN CCN(C)Cc1cncc(-c2cc(C)ccc2C)c1 ZINC000037553838 567067283 /nfs/dbraw/zinc/06/72/83/567067283.db2.gz RGNCCGRJVPOGLE-UHFFFAOYSA-N 0 3 254.377 3.817 50 0 CHAAHN Cc1ccc(CNCc2ccc(CO)c(F)c2)cc1Cl ZINC000195438913 567070243 /nfs/dbraw/zinc/07/02/43/567070243.db2.gz CITDZUHOANJZOG-UHFFFAOYSA-N 0 3 293.769 3.570 50 0 CHAAHN Cc1csc([C@H](N[C@H](C)CC2CC2)C2CC2)n1 ZINC000095423329 567130780 /nfs/dbraw/zinc/13/07/80/567130780.db2.gz MWANTBSXULGPNE-NOZJJQNGSA-N 0 3 250.411 3.681 50 0 CHAAHN Cc1cc([C@H](C)NCC[S@](=O)C(C)(C)C)c(C)s1 ZINC000095422603 567132447 /nfs/dbraw/zinc/13/24/47/567132447.db2.gz KPJPXWRRBNRULJ-BBATYDOGSA-N 0 3 287.494 3.563 50 0 CHAAHN COc1ccc(Cl)cc1CN(C)CC[C@@H]1CC1(F)F ZINC000670446032 567175035 /nfs/dbraw/zinc/17/50/35/567175035.db2.gz VRKMCCZRQMLCIX-LLVKDONJSA-N 0 3 289.753 3.826 50 0 CHAAHN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@H](C)C1 ZINC000069378452 567200562 /nfs/dbraw/zinc/20/05/62/567200562.db2.gz HYVYTRFOOREVKP-KBPBESRZSA-N 0 3 282.387 3.509 50 0 CHAAHN CN1CCC(N(Cc2ccccc2)c2ccccc2)CC1 ZINC000000000987 567816401 /nfs/dbraw/zinc/81/64/01/567816401.db2.gz VZSXTYKGYWISGQ-UHFFFAOYSA-N 0 3 280.415 3.787 50 0 in-man CHAAHN CC(=O)c1coc2ccc(OCCN3CCCCC3)cc12 ZINC000000051629 567817263 /nfs/dbraw/zinc/81/72/63/567817263.db2.gz ATEYYOJGFUAQPB-UHFFFAOYSA-N 0 3 287.359 3.500 50 0 CHAAHN CC(C)COc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 ZINC000000131441 567819476 /nfs/dbraw/zinc/81/94/76/567819476.db2.gz JBQXDBHYAJRXFU-INIZCTEOSA-N 0 3 284.403 3.657 50 0 CHAAHN COc1ccc(CNCc2cc(C)c(OC)cc2C)cc1 ZINC000000172194 567821385 /nfs/dbraw/zinc/82/13/85/567821385.db2.gz QRDAZGAASWROBE-UHFFFAOYSA-N 0 3 285.387 3.610 50 0 biogenic CHAAHN COc1cccc(CN[C@H]2CCCc3ccccc32)c1 ZINC000000263008 567823150 /nfs/dbraw/zinc/82/31/50/567823150.db2.gz SXHRESMDGYRFLU-SFHVURJKSA-N 0 3 267.372 3.862 50 0 CHAAHN CN(C)Cc1ccc(Sc2cccc(O)c2)cc1 ZINC000000346605 567826054 /nfs/dbraw/zinc/82/60/54/567826054.db2.gz XJCYSQZWEGTBDE-UHFFFAOYSA-N 0 3 259.374 3.605 50 0 CHAAHN CCCCc1cc2ccccc2c(OCCN(C)C)n1 ZINC000001671507 567841073 /nfs/dbraw/zinc/84/10/73/567841073.db2.gz XNMYNYSCEJBRPZ-UHFFFAOYSA-N 0 3 272.392 3.518 50 0 in-man CHAAHN O=C(c1ccc(CN2CCCCC2)cc1)C1CCC1 ZINC000002514538 567846468 /nfs/dbraw/zinc/84/64/68/567846468.db2.gz BYDFANUWRYHSCM-UHFFFAOYSA-N 0 3 257.377 3.655 50 0 CHAAHN Brc1ccc(CNCc2ccccc2)cc1 ZINC000002581646 567848680 /nfs/dbraw/zinc/84/86/80/567848680.db2.gz QXBYDLUZMIWCRP-UHFFFAOYSA-N 0 3 276.177 3.739 50 0 CHAAHN CN(CC(=O)Nc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000003439285 567852896 /nfs/dbraw/zinc/85/28/96/567852896.db2.gz CZQOOMWYHYUSME-UHFFFAOYSA-N 0 3 298.789 3.682 50 0 CHAAHN Cc1sc([C@@H](C)N)nc1-c1ccc(Cl)cc1 ZINC000003708660 567853446 /nfs/dbraw/zinc/85/34/46/567853446.db2.gz XYPLJIPSPRVZHJ-SSDOTTSWSA-N 0 3 252.770 3.792 50 0 CHAAHN COc1ccccc1N1CCN(C2CCCCCC2)CC1 ZINC000004981381 567859264 /nfs/dbraw/zinc/85/92/64/567859264.db2.gz YFWHDQKTDZQVAP-UHFFFAOYSA-N 0 3 288.435 3.540 50 0 CHAAHN Cc1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010367231 567861530 /nfs/dbraw/zinc/86/15/30/567861530.db2.gz IRWIMDFQXWYMIQ-UHFFFAOYSA-N 0 3 294.398 3.843 50 0 CHAAHN C[C@@H]1CN(CCCc2ccccc2)Cc2ccccc2O1 ZINC000012004485 567862133 /nfs/dbraw/zinc/86/21/33/567862133.db2.gz DXPOENDRFICJIY-MRXNPFEDSA-N 0 3 281.399 3.902 50 0 CHAAHN O[C@H](CNCc1cccc(Cl)c1Cl)c1ccccc1 ZINC000016477520 567873017 /nfs/dbraw/zinc/87/30/17/567873017.db2.gz OMKRNUKEFZQQSY-CQSZACIVSA-N 0 3 296.197 3.817 50 0 CHAAHN C[C@@H]1C[C@H](C)CN(Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000016695545 567873748 /nfs/dbraw/zinc/87/37/48/567873748.db2.gz FWNWUVHKTALMLV-TXEJJXNPSA-N 0 3 295.810 3.684 50 0 CHAAHN CSc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000019300620 567877505 /nfs/dbraw/zinc/87/75/05/567877505.db2.gz UIXXCPIZWSSKOW-CQSZACIVSA-N 0 3 287.432 3.511 50 0 CHAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(F)cc1 ZINC000019702287 567878463 /nfs/dbraw/zinc/87/84/63/567878463.db2.gz XQZPTCJTTCSDTJ-QGZVFWFLSA-N 0 3 296.345 3.551 50 0 biogenic CHAAHN CC1CCC(N2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000019832012 567879030 /nfs/dbraw/zinc/87/90/30/567879030.db2.gz OTAFKASHJUSMRT-UHFFFAOYSA-N 0 3 290.426 3.522 50 0 CHAAHN C[C@@H]1CCC[C@@H](N2CCN(Cc3ccccc3F)CC2)C1 ZINC000019842425 567879173 /nfs/dbraw/zinc/87/91/73/567879173.db2.gz YQJPGSDHPPYAJK-NVXWUHKLSA-N 0 3 290.426 3.522 50 0 CHAAHN CCc1ccc(CN2CCN(C3CCCCC3)CC2)cc1 ZINC000019842396 567879291 /nfs/dbraw/zinc/87/92/91/567879291.db2.gz LJVJTEXKTXQCQO-UHFFFAOYSA-N 0 3 286.463 3.699 50 0 CHAAHN CCC(C)(C)NCc1cc(Br)ccc1F ZINC000019879703 567879767 /nfs/dbraw/zinc/87/97/67/567879767.db2.gz FRGHOJGOFIWOFP-UHFFFAOYSA-N 0 3 274.177 3.866 50 0 CHAAHN CCCC(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027662476 567883621 /nfs/dbraw/zinc/88/36/21/567883621.db2.gz XRUFVMGLPUESBT-AWEZNQCLSA-N 0 3 294.464 3.582 50 0 CHAAHN O[C@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000023280078 567887821 /nfs/dbraw/zinc/88/78/21/567887821.db2.gz CLTYSGARAHLXKA-AWEZNQCLSA-N 0 3 291.778 3.557 50 0 CHAAHN O[C@]12CCCC[C@@H]1[C@H](c1ccccc1C(F)(F)F)NCC2 ZINC000043157569 567888815 /nfs/dbraw/zinc/88/88/15/567888815.db2.gz BPSBHMXEIGURBC-ILXRZTDVSA-N 0 3 299.336 3.661 50 0 CHAAHN Cc1cccc(N2CCN(Cc3ccccc3)CC2)c1C ZINC000055543310 567894372 /nfs/dbraw/zinc/89/43/72/567894372.db2.gz XVPVYTHIRNGDTJ-UHFFFAOYSA-N 0 3 280.415 3.626 50 0 CHAAHN Cc1ccccc1-c1nnc(CN2CCC[C@H]3CCC[C@@H]32)o1 ZINC000075769252 567894694 /nfs/dbraw/zinc/89/46/94/567894694.db2.gz UPWMSCPALJQHEC-ZBFHGGJFSA-N 0 3 297.402 3.810 50 0 CHAAHN CCN(Cc1c(F)ccc(C)c1F)CC1CCOCC1 ZINC000065372453 567898654 /nfs/dbraw/zinc/89/86/54/567898654.db2.gz VNGVXJYZWGORAI-UHFFFAOYSA-N 0 3 283.362 3.522 50 0 CHAAHN COCC[C@@H]1CCCCN1Cc1ccc(Cl)s1 ZINC000065430554 567899253 /nfs/dbraw/zinc/89/92/53/567899253.db2.gz FHJCZBHDSVPRCA-NSHDSACASA-N 0 3 273.829 3.793 50 0 CHAAHN CC(C)OC[C@H](C)NCc1csc2ccccc12 ZINC000337335720 567905315 /nfs/dbraw/zinc/90/53/15/567905315.db2.gz LQXWFMMPPRWRKD-LBPRGKRZSA-N 0 3 263.406 3.804 50 0 CHAAHN Cc1cccc2[nH]c(C3CCN(c4ccncc4)CC3)nc21 ZINC000077472046 567905630 /nfs/dbraw/zinc/90/56/30/567905630.db2.gz HSENBHBUDVUQOX-UHFFFAOYSA-N 0 3 292.386 3.650 50 0 CHAAHN CC(C)Nc1ccc(-c2ccc([C@H](C)N(C)C)cc2)nn1 ZINC000097759282 567911325 /nfs/dbraw/zinc/91/13/25/567911325.db2.gz YYIGLTOVJLEUCV-ZDUSSCGKSA-N 0 3 284.407 3.587 50 0 CHAAHN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCCCCC2)c(C)c1 ZINC000000186670 567924853 /nfs/dbraw/zinc/92/48/53/567924853.db2.gz SPHISTHYEUHNGE-MRXNPFEDSA-N 0 3 288.435 3.815 50 0 CHAAHN c1ccc2cc(CNCc3ccc4c(c3)OCO4)ccc2c1 ZINC000000275586 567926136 /nfs/dbraw/zinc/92/61/36/567926136.db2.gz TZZVGIJLPKBTPD-UHFFFAOYSA-N 0 3 291.350 3.858 50 0 CHAAHN Cc1noc(C)c1CN[C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000248259626 567928847 /nfs/dbraw/zinc/92/88/47/567928847.db2.gz QANRNMUWCPZKAL-LYRGGWFBSA-N 0 3 270.376 3.573 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CNC[C@@H](C)CCO)o1 ZINC000225421792 567953479 /nfs/dbraw/zinc/95/34/79/567953479.db2.gz LCIBTFWQKWYDTG-LBPRGKRZSA-N 0 3 291.366 3.502 50 0 CHAAHN CCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000013896374 570221814 /nfs/dbraw/zinc/22/18/14/570221814.db2.gz FVGXVARSBZSODC-DLTLXFJOSA-N 0 3 292.467 3.706 50 0 CHAAHN COCCN(C/C=C/c1ccco1)Cc1ccc(C)cc1 ZINC000055211612 570241350 /nfs/dbraw/zinc/24/13/50/570241350.db2.gz BMQCDSPQRHLLEI-HWKANZROSA-N 0 3 285.387 3.750 50 0 CHAAHN CC1=C[C@H](C)[C@H](CN2CCO[C@@H]2C(C)C)[C@H](C)C1 ZINC000061854984 570274047 /nfs/dbraw/zinc/27/40/47/570274047.db2.gz ZINAYKAEPVIUEM-XUWVNRHRSA-N 0 3 251.414 3.539 50 0 CHAAHN Cc1ccccc1CN1CCC(c2nnc(C(C)C)o2)CC1 ZINC000049377128 570300376 /nfs/dbraw/zinc/30/03/76/570300376.db2.gz PHGKOQIYAGYTPI-UHFFFAOYSA-N 0 3 299.418 3.881 50 0 CHAAHN CC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000039425331 570314598 /nfs/dbraw/zinc/31/45/98/570314598.db2.gz YOXUULLSHCNAFM-UHFFFAOYSA-N 0 3 298.224 3.560 50 0 CHAAHN CCCN(Cc1cncn1C1CC1)C1Cc2ccccc2C1 ZINC000252499444 570322885 /nfs/dbraw/zinc/32/28/85/570322885.db2.gz SARUYBDSTQLCFK-UHFFFAOYSA-N 0 3 295.430 3.597 50 0 CHAAHN C[C@@H](c1nc2ccccc2n1C)N1CCCCCC1 ZINC000082086973 570325104 /nfs/dbraw/zinc/32/51/04/570325104.db2.gz CUKAMMGSYPIKMI-ZDUSSCGKSA-N 0 3 257.381 3.510 50 0 CHAAHN C[C@@H]1CSc2ccccc2[C@@H]1NCc1cccnc1 ZINC000095427018 570371831 /nfs/dbraw/zinc/37/18/31/570371831.db2.gz RACKREXTFQOYNZ-MLGOLLRUSA-N 0 3 270.401 3.654 50 0 CHAAHN O=C(c1ccccc1)[C@@H](CN1CCCC1)c1ccccc1 ZINC000000436613 570383250 /nfs/dbraw/zinc/38/32/50/570383250.db2.gz RKMMNJJFYFRSOY-SFHVURJKSA-N 0 3 279.383 3.749 50 0 CHAAHN CCc1nc(C)c(CN[C@H](CC)c2cccs2)[nH]1 ZINC000952991152 615737240 /nfs/dbraw/zinc/73/72/40/615737240.db2.gz ZPZHNKHQCMNAOX-LLVKDONJSA-N 0 3 263.410 3.583 50 0 CHAAHN CNCc1ccccc1Oc1ccc(F)c(Cl)c1 ZINC000104430042 185999442 /nfs/dbraw/zinc/99/94/42/185999442.db2.gz QRSJHNAKKOFQIN-UHFFFAOYSA-N 0 3 265.715 3.991 50 0 CHAAHN C[C@]1(c2ccccc2)CCCN(Cc2cncn2C2CC2)C1 ZINC000091452326 180159480 /nfs/dbraw/zinc/15/94/80/180159480.db2.gz RENXEIQYHBOICP-IBGZPJMESA-N 0 3 295.430 3.772 50 0 CHAAHN c1coc(C2=CCCN(CCCC3CCOCC3)C2)c1 ZINC000285381181 370687142 /nfs/dbraw/zinc/68/71/42/370687142.db2.gz RQDURUZODFDQGR-UHFFFAOYSA-N 0 3 275.392 3.576 50 0 CHAAHN Cc1cc(C)n(CCN2CCCCC[C@@H]2c2ccco2)n1 ZINC000265661129 190198169 /nfs/dbraw/zinc/19/81/69/190198169.db2.gz XFRDATIBNSXGPE-MRXNPFEDSA-N 0 3 287.407 3.710 50 0 CHAAHN c1ccc(COc2ccccc2CNC[C@@H]2CCCO2)cc1 ZINC000004813894 170021723 /nfs/dbraw/zinc/02/17/23/170021723.db2.gz SJOLFEXJTQZBFV-SFHVURJKSA-N 0 3 297.398 3.534 50 0 CHAAHN Cc1cc(OCCN2CCCCC2)cc(C)c1Cl ZINC000004990048 170050660 /nfs/dbraw/zinc/05/06/60/170050660.db2.gz QGSLCZPEHCGUEW-UHFFFAOYSA-N 0 3 267.800 3.822 50 0 CHAAHN CCOc1cc(CNC2CCCC2)c(Cl)cc1OC ZINC000005013918 170055698 /nfs/dbraw/zinc/05/56/98/170055698.db2.gz JWSWLRZYTPMCPJ-UHFFFAOYSA-N 0 3 283.799 3.780 50 0 CHAAHN Cc1cc(Cl)ccc1OCCN1CCCCC1 ZINC000005023774 170056928 /nfs/dbraw/zinc/05/69/28/170056928.db2.gz OAYDPLWHBMDICC-UHFFFAOYSA-N 0 3 253.773 3.513 50 0 CHAAHN CCCN[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000005937251 170158617 /nfs/dbraw/zinc/15/86/17/170158617.db2.gz MBSGOSNNUZUOFI-GOSISDBHSA-N 0 3 296.414 3.983 50 0 CHAAHN Fc1cc2sc(NC3=NCCCCC3)nc2c(F)c1F ZINC000006413821 170199486 /nfs/dbraw/zinc/19/94/86/170199486.db2.gz XWSNEDWMPRQKOS-UHFFFAOYSA-N 0 3 299.321 3.520 50 0 CHAAHN Cc1cc2oc(=O)cc(CN3CCC[C@@H](C)C3)c2cc1C ZINC000006649640 170222272 /nfs/dbraw/zinc/22/22/72/170222272.db2.gz XDNFGCLPQDYKNR-GFCCVEGCSA-N 0 3 285.387 3.642 50 0 CHAAHN CC[C@H](C)N[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006788127 170243994 /nfs/dbraw/zinc/24/39/94/170243994.db2.gz CILWEQVQHBKYMA-DTWKUNHWSA-N 0 3 289.206 3.709 50 0 CHAAHN Cc1[nH]c2ccccc2c(=O)c1CN1CCCC[C@H]1C ZINC000008700825 170346678 /nfs/dbraw/zinc/34/66/78/170346678.db2.gz JJXANMHQTDJDOF-GFCCVEGCSA-N 0 3 270.376 3.623 50 0 CHAAHN CCc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1 ZINC000008714144 170348458 /nfs/dbraw/zinc/34/84/58/170348458.db2.gz MLAFXHUQKPYEBO-UHFFFAOYSA-N 0 3 284.403 3.797 50 0 CHAAHN Cc1ccccc1OCCCCNCc1ccco1 ZINC000008753718 170354167 /nfs/dbraw/zinc/35/41/67/170354167.db2.gz FHIIVXXQRVOAMX-UHFFFAOYSA-N 0 3 259.349 3.537 50 0 CHAAHN Cc1nn(C)cc1CN1CCCCC[C@@H]1c1cccs1 ZINC000035538253 172245025 /nfs/dbraw/zinc/24/50/25/172245025.db2.gz YODUZVFEFNJHTM-OAHLLOKOSA-N 0 3 289.448 3.907 50 0 CHAAHN N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000037466574 173226912 /nfs/dbraw/zinc/22/69/12/173226912.db2.gz AILANKYWKDHJDG-CYBMUJFWSA-N 0 3 280.140 3.636 50 0 CHAAHN CCC(CC)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000040615116 174353492 /nfs/dbraw/zinc/35/34/92/174353492.db2.gz ACFOCIZQXORZLB-QGZVFWFLSA-N 0 3 290.451 3.622 50 0 CHAAHN Cc1noc(C)c1CN[C@@H](C)CC1CCCCC1 ZINC000071278891 176108187 /nfs/dbraw/zinc/10/81/87/176108187.db2.gz CKRINNAVOALMDM-NSHDSACASA-N 0 3 250.386 3.740 50 0 CHAAHN c1coc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000072165706 176331141 /nfs/dbraw/zinc/33/11/41/176331141.db2.gz XWGGGNYLTWZKRT-CQSZACIVSA-N 0 3 295.386 3.611 50 0 CHAAHN CCCCN(CCCC)CC(=O)Nc1cc(C(C)C)no1 ZINC000072314818 176368499 /nfs/dbraw/zinc/36/84/99/176368499.db2.gz ILNJEZPGAMOWLU-UHFFFAOYSA-N 0 3 295.427 3.639 50 0 CHAAHN CCOc1cc(CN2C[C@H](C)C[C@H](C)C2)ccc1OC ZINC000023283309 266024309 /nfs/dbraw/zinc/02/43/09/266024309.db2.gz WFGJHTWSAFUEAQ-OKILXGFUSA-N 0 3 277.408 3.572 50 0 CHAAHN Fc1ccc(COc2cccc(CNC3CC3)c2)cc1 ZINC000016399563 534471837 /nfs/dbraw/zinc/47/18/37/534471837.db2.gz RQXFIBXSXDACIX-UHFFFAOYSA-N 0 3 271.335 3.657 50 0 CHAAHN C[C@@H](c1cccc(Cl)c1)N1CCN2CCCC[C@H]2C1 ZINC000241587859 526069852 /nfs/dbraw/zinc/06/98/52/526069852.db2.gz OXRRHZUMZJTZFD-BBRMVZONSA-N 0 3 278.827 3.571 50 0 CHAAHN C[C@@H](c1ccccc1)N1CCN(C)c2ccccc2C1 ZINC000084656500 566885590 /nfs/dbraw/zinc/88/55/90/566885590.db2.gz JPNZJIZHVVWEDW-HNNXBMFYSA-N 0 3 266.388 3.700 50 0 CHAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1C ZINC000003736576 566934010 /nfs/dbraw/zinc/93/40/10/566934010.db2.gz GTGBFYKASMCWBS-GOSISDBHSA-N 0 3 292.382 3.720 50 0 CHAAHN C/C=C/c1ccc(OCCNCc2ccccc2)c(OC)c1 ZINC000002825256 566958002 /nfs/dbraw/zinc/95/80/02/566958002.db2.gz SUCUNRLYKAJRLQ-XVNBXDOJSA-N 0 3 297.398 3.897 50 0 CHAAHN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C[C@H](C)C[C@H](C)C1 ZINC000016475841 566964085 /nfs/dbraw/zinc/96/40/85/566964085.db2.gz MXNXUGZLEBGSEG-XQQFMLRXSA-N 0 3 294.826 3.645 50 0 CHAAHN COc1ccc([C@H](NC(=N)SC)c2ccccc2)cc1 ZINC000006457784 566964894 /nfs/dbraw/zinc/96/48/94/566964894.db2.gz CRYAZGJLGPWYIY-OAHLLOKOSA-N 0 3 286.400 3.672 50 0 CHAAHN COc1ccc([C@@H](NC(=N)SC)c2ccccc2)cc1 ZINC000006457806 566964982 /nfs/dbraw/zinc/96/49/82/566964982.db2.gz CRYAZGJLGPWYIY-HNNXBMFYSA-N 0 3 286.400 3.672 50 0 CHAAHN C[C@H](N[C@H]1CCC[C@H]1c1ccc(F)cc1)c1cnccn1 ZINC000241774117 566967673 /nfs/dbraw/zinc/96/76/73/566967673.db2.gz RNEWVPWFYIIHIL-RCBQFDQVSA-N 0 3 285.366 3.603 50 0 CHAAHN Brc1ccc2c(c1)CNCC21CCCCC1 ZINC000138174931 566982249 /nfs/dbraw/zinc/98/22/49/566982249.db2.gz BZEBXNFZFCGENY-UHFFFAOYSA-N 0 3 280.209 3.754 50 0 CHAAHN CCCc1nnc(-c2ccc([C@@H](C)N(C)C)cc2)s1 ZINC000426658202 566991713 /nfs/dbraw/zinc/99/17/13/566991713.db2.gz JRPHCYJMQPBNEP-LLVKDONJSA-N 0 3 275.421 3.780 50 0 CHAAHN CC[C@@](C)(NCC[C@@H]1CCCCO1)c1nc(C)cs1 ZINC000170076834 567005216 /nfs/dbraw/zinc/00/52/16/567005216.db2.gz QQIAVNYMQSXZIM-DZGCQCFKSA-N 0 3 282.453 3.626 50 0 CHAAHN CCc1nc(C)c([C@H](C)N(C)CCc2ccncc2)s1 ZINC000076040343 567028499 /nfs/dbraw/zinc/02/84/99/567028499.db2.gz SKAPCHBYFMWAEV-ZDUSSCGKSA-N 0 3 289.448 3.644 50 0 CHAAHN CC(C)[C@@H](NCC(N)=O)c1ccc(C2CCCCC2)cc1 ZINC000057364671 567155122 /nfs/dbraw/zinc/15/51/22/567155122.db2.gz VFTLAMUROCIDIA-GOSISDBHSA-N 0 3 288.435 3.506 50 0 CHAAHN CC(C)(C)C[C@@H]1CCCN1Cc1nc(-c2ccco2)no1 ZINC000057863229 567164754 /nfs/dbraw/zinc/16/47/54/567164754.db2.gz UEEZBEGNFXFPSM-LBPRGKRZSA-N 0 3 289.379 3.730 50 0 CHAAHN CO[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)cc2)C1 ZINC000670435520 567168072 /nfs/dbraw/zinc/16/80/72/567168072.db2.gz HAAUCIGMMKOGKI-IBGZPJMESA-N 0 3 296.414 3.675 50 0 CHAAHN COc1ccc(CNCc2cccc(Cl)c2)cc1 ZINC000000172111 567821483 /nfs/dbraw/zinc/82/14/83/567821483.db2.gz XSIGKBGYHPTLBF-UHFFFAOYSA-N 0 3 261.752 3.638 50 0 CHAAHN CC(C)COc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 ZINC000000131443 567819460 /nfs/dbraw/zinc/81/94/60/567819460.db2.gz JBQXDBHYAJRXFU-MRXNPFEDSA-N 0 3 284.403 3.657 50 0 CHAAHN Cc1ccc2nc(C(F)(F)F)cc(OCCN(C)C)c2c1 ZINC000000169435 567821128 /nfs/dbraw/zinc/82/11/28/567821128.db2.gz SRZRWHAHIKMWIJ-UHFFFAOYSA-N 0 3 298.308 3.502 50 0 CHAAHN Cc1cccc([C@@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000000182736 567821839 /nfs/dbraw/zinc/82/18/39/567821839.db2.gz JAWJYPSOUVXIGQ-KRWDZBQOSA-N 0 3 262.356 3.711 50 0 CHAAHN COc1ccc(CN2CCc3ccccc3C2)cc1C ZINC000000240595 567822830 /nfs/dbraw/zinc/82/28/30/567822830.db2.gz GOIGYKYRJDDPPP-UHFFFAOYSA-N 0 3 267.372 3.562 50 0 CHAAHN CCOC(=O)C1CCN(Cc2cccc3ccccc32)CC1 ZINC000000236225 567822936 /nfs/dbraw/zinc/82/29/36/567822936.db2.gz APUBSBMSJRMTJT-UHFFFAOYSA-N 0 3 297.398 3.615 50 0 CHAAHN CN(C)Cc1ccc(Cc2ccc(Cl)cc2)cc1 ZINC000000346567 567826026 /nfs/dbraw/zinc/82/60/26/567826026.db2.gz PDGGHDLIWGFAKU-UHFFFAOYSA-N 0 3 259.780 3.992 50 0 CHAAHN CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 ZINC000001530940 567837753 /nfs/dbraw/zinc/83/77/53/567837753.db2.gz BZEWSEKUUPWQDQ-UHFFFAOYSA-N 0 3 289.419 3.924 50 0 fda CHAAHN C[C@H]1CCCN(CCOCCSc2ccccc2)C1 ZINC000004568466 567858224 /nfs/dbraw/zinc/85/82/24/567858224.db2.gz GTDGCZAGEYQBAY-HNNXBMFYSA-N 0 3 279.449 3.527 50 0 CHAAHN Cn1cccc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000126876181 567860781 /nfs/dbraw/zinc/86/07/81/567860781.db2.gz SBUANZRZJUIOGK-CQSZACIVSA-N 0 3 295.386 3.546 50 0 CHAAHN CC(C)NCc1ccccc1OCc1ccc(F)cc1 ZINC000010435873 567861376 /nfs/dbraw/zinc/86/13/76/567861376.db2.gz RMAMHFRAFFKROS-UHFFFAOYSA-N 0 3 273.351 3.903 50 0 CHAAHN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCCCCCC2)c1 ZINC000014915726 567869784 /nfs/dbraw/zinc/86/97/84/567869784.db2.gz AVDFAGFWISEQEH-MRXNPFEDSA-N 0 3 288.435 3.897 50 0 CHAAHN Cc1c([C@H](C)NC2CCC2)cnn1-c1cccc(F)c1 ZINC000014948250 567870049 /nfs/dbraw/zinc/87/00/49/567870049.db2.gz GAPVYXCDLXNZRV-NSHDSACASA-N 0 3 273.355 3.523 50 0 CHAAHN CN1CCCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019537644 567877905 /nfs/dbraw/zinc/87/79/05/567877905.db2.gz WYVYTZYXMDIKMT-UHFFFAOYSA-N 0 3 296.414 3.616 50 0 CHAAHN C(=C/c1ccccc1)\CN1CCN(CC2CCCCC2)CC1 ZINC000019634097 567877919 /nfs/dbraw/zinc/87/79/19/567877919.db2.gz KDRCXTCDKZYAID-KPKJPENVSA-N 0 3 298.474 3.898 50 0 CHAAHN CSc1ccc(CN(C)C[C@@H](O)c2ccccc2)cc1 ZINC000023280361 567887751 /nfs/dbraw/zinc/88/77/51/567887751.db2.gz RBIIRMRDFYETDX-QGZVFWFLSA-N 0 3 287.428 3.574 50 0 CHAAHN C[C@H](c1ccc(-c2cnc3ccccc3n2)cc1)N(C)C ZINC000065406193 567899305 /nfs/dbraw/zinc/89/93/05/567899305.db2.gz JWUCVQIGGJUVOO-CYBMUJFWSA-N 0 3 277.371 3.919 50 0 CHAAHN COC(C)(C)C[C@H](C)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000067712756 567900172 /nfs/dbraw/zinc/90/01/72/567900172.db2.gz LCHDYXNUZRONQV-JTQLQIEISA-N 0 3 295.814 3.510 50 0 CHAAHN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc(F)cc1 ZINC000097037036 567903195 /nfs/dbraw/zinc/90/31/95/567903195.db2.gz ISLLPFFAZGQQSP-KDOFPFPSSA-N 0 3 299.393 3.543 50 0 CHAAHN Cc1cccc2[nH]c([C@@H]3CCCN(c4ccncc4)C3)nc21 ZINC000077471555 567905558 /nfs/dbraw/zinc/90/55/58/567905558.db2.gz JLUHSTOHZCRICI-CQSZACIVSA-N 0 3 292.386 3.650 50 0 CHAAHN CCN(CC)CCSc1nc2ccccc2s1 ZINC000001586335 567906479 /nfs/dbraw/zinc/90/64/79/567906479.db2.gz OEPRMKCQSMXWSG-UHFFFAOYSA-N 0 3 266.435 3.730 50 0 CHAAHN Cc1cc(CN2CCC3(CCOCC3)CC2)ccc1F ZINC000097492545 567910498 /nfs/dbraw/zinc/91/04/98/567910498.db2.gz PCKCKKZVKGXAAO-UHFFFAOYSA-N 0 3 277.383 3.527 50 0 CHAAHN Cc1cc([C@H]2CCCCN2CCc2ccccc2)no1 ZINC000097307473 567910548 /nfs/dbraw/zinc/91/05/48/567910548.db2.gz ZKPOGZUCUBAJBR-QGZVFWFLSA-N 0 3 270.376 3.753 50 0 CHAAHN Cc1ccc([C@H](C)CCN(C)Cc2c(C)noc2C)o1 ZINC000097600929 567911114 /nfs/dbraw/zinc/91/11/14/567911114.db2.gz KLWKMIDRSALYDI-LLVKDONJSA-N 0 3 276.380 3.818 50 0 CHAAHN c1cc(C2CCCCC2)cc2c3c4n(c12)CCN=C4NCC3 ZINC000100587713 567928265 /nfs/dbraw/zinc/92/82/65/567928265.db2.gz AYEWPLSGPARBDX-UHFFFAOYSA-N 0 3 293.414 3.595 50 0 CHAAHN COc1ccc(CCNCc2c(F)cccc2Cl)cc1 ZINC000019871770 567944987 /nfs/dbraw/zinc/94/49/87/567944987.db2.gz VZRVWOJDQLZZAU-UHFFFAOYSA-N 0 3 293.769 3.820 50 0 CHAAHN Cc1nnc(-c2ccc(CN(C)C)cc2)c2ccccc12 ZINC000215858002 567947334 /nfs/dbraw/zinc/94/73/34/567947334.db2.gz WSEMTIZAKVFPOO-UHFFFAOYSA-N 0 3 277.371 3.667 50 0 CHAAHN CC(=O)CCN(Cc1ccccc1)Cc1ccccc1 ZINC000000198542 567951526 /nfs/dbraw/zinc/95/15/26/567951526.db2.gz UUVNGPGLPIICOR-UHFFFAOYSA-N 0 3 267.372 3.668 50 0 CHAAHN CCOCCNCc1ccc(-c2cccc(F)c2C)o1 ZINC000225392507 567953443 /nfs/dbraw/zinc/95/34/43/567953443.db2.gz GOKKYRAEZJFWCY-UHFFFAOYSA-N 0 3 277.339 3.520 50 0 CHAAHN CC(C)c1ccc(CN(C)C[C@H](O)c2ccccc2)cc1 ZINC000025718887 570231029 /nfs/dbraw/zinc/23/10/29/570231029.db2.gz YHUMFBGWMJDPOI-IBGZPJMESA-N 0 3 283.415 3.975 50 0 CHAAHN C/C(=C\c1ccco1)CN(C)[C@H](C)Cc1ccccn1 ZINC000065531745 570244355 /nfs/dbraw/zinc/24/43/55/570244355.db2.gz JYLLYGCUNMLEOS-ATGUSINASA-N 0 3 270.376 3.641 50 0 CHAAHN C[C@H](c1cccs1)N(C)Cc1ccc2c(c1)OCCO2 ZINC000048331692 570297431 /nfs/dbraw/zinc/29/74/31/570297431.db2.gz LLUPUXQFIFTIRL-GFCCVEGCSA-N 0 3 289.400 3.712 50 0 CHAAHN Cc1ccc([C@H](C)N[C@H](C)C[C@@H](O)c2cccs2)o1 ZINC000221691613 570311472 /nfs/dbraw/zinc/31/14/72/570311472.db2.gz JHFUIFVJLHGYIY-KGYLQXTDSA-N 0 3 279.405 3.812 50 0 CHAAHN Cc1ccc(CCn2cc(CN(C)C)c3ccccc32)cn1 ZINC000075567337 570355743 /nfs/dbraw/zinc/35/57/43/570355743.db2.gz CPRXWGYEIWDIDS-UHFFFAOYSA-N 0 3 293.414 3.649 50 0 CHAAHN Fc1ccc(N2CCN(CC3CCCCC3)CC2)cc1 ZINC000000277434 570382921 /nfs/dbraw/zinc/38/29/21/570382921.db2.gz SPZXASWWKLJERY-UHFFFAOYSA-N 0 3 276.399 3.528 50 0 CHAAHN CC[C@@H]1CN(C)c2ccccc2CN1Cc1c(C)noc1C ZINC000079073986 570396565 /nfs/dbraw/zinc/39/65/65/570396565.db2.gz KGKSYBMVFVJRBR-MRXNPFEDSA-N 0 3 299.418 3.522 50 0 CHAAHN CCC(C)(C)NCC(=O)Nc1c(Cl)cccc1Cl ZINC000003440604 570399421 /nfs/dbraw/zinc/39/94/21/570399421.db2.gz VXULBDYYPLMIAI-UHFFFAOYSA-N 0 3 289.206 3.710 50 0 CHAAHN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccccc1 ZINC000041166429 570403491 /nfs/dbraw/zinc/40/34/91/570403491.db2.gz FTZQTLPOPSIUGH-UHFFFAOYSA-N 0 3 291.398 3.779 50 0 CHAAHN O=c1c(CN2CCCCCC2)coc2ccc(Cl)cc21 ZINC000004988728 1120938313 /nfs/dbraw/zinc/93/83/13/1120938313.db2.gz BZWCQUZVQHKTNF-UHFFFAOYSA-N 0 3 291.778 3.822 50 0 CHAAHN Cc1nc(CCN2CCCC[C@H]2c2ccccn2)cs1 ZINC000244594261 1121469361 /nfs/dbraw/zinc/46/93/61/1121469361.db2.gz DJKYABVHSLNYFF-INIZCTEOSA-N 0 3 287.432 3.616 50 0 CHAAHN CC(C)Cc1c[nH]nc1[C@@H]1CCCN(Cc2ccco2)C1 ZINC000019788936 1129846207 /nfs/dbraw/zinc/84/62/07/1129846207.db2.gz CKKPAZQIXXQEFD-CQSZACIVSA-N 0 3 287.407 3.581 50 0 CHAAHN Cc1cc(C)c([C@H](C)N[C@H](C)c2cnn(C)c2)cc1C ZINC000095968482 185046513 /nfs/dbraw/zinc/04/65/13/185046513.db2.gz PBCFQAYEUNFVCA-CABCVRRESA-N 0 3 271.408 3.757 50 0 CHAAHN Cc1ccccc1[C@@H](N[C@H](C)c1cnn(C)c1)C1CC1 ZINC000095967942 185046910 /nfs/dbraw/zinc/04/69/10/185046910.db2.gz BMLPANRPPYCKIC-DYVFJYSZSA-N 0 3 269.392 3.530 50 0 CHAAHN CC[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccncc1 ZINC000096478354 529672895 /nfs/dbraw/zinc/67/28/95/529672895.db2.gz SUYUUTMRVMSOHG-IRXDYDNUSA-N 0 3 270.351 3.949 50 0 CHAAHN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](N)CC(C)(C)O2 ZINC000091690748 180227393 /nfs/dbraw/zinc/22/73/93/180227393.db2.gz ZEPDWGAJKLOGKJ-GFCCVEGCSA-N 0 3 292.379 3.595 50 0 CHAAHN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](N)CC(C)(C)O2 ZINC000091690747 180227721 /nfs/dbraw/zinc/22/77/21/180227721.db2.gz ZEPDWGAJKLOGKJ-LBPRGKRZSA-N 0 3 292.379 3.595 50 0 CHAAHN Cc1cc(C)cc([C@@H](C)NCc2ccc(CO)cc2)c1 ZINC000183106070 189346949 /nfs/dbraw/zinc/34/69/49/189346949.db2.gz RLYNKEQUNZVVJA-OAHLLOKOSA-N 0 3 269.388 3.647 50 0 CHAAHN CCCCNCc1c(Cl)cccc1Br ZINC000261493506 190039452 /nfs/dbraw/zinc/03/94/52/190039452.db2.gz CLHRWJALACPUFL-UHFFFAOYSA-N 0 3 276.605 3.992 50 0 CHAAHN CN1[C@H](c2ccccc2)CC(C)(O)C[C@H]1c1ccccc1 ZINC000000208438 169575112 /nfs/dbraw/zinc/57/51/12/169575112.db2.gz YKVNCLSIBPRPTL-ROUUACIJSA-N 0 3 281.399 3.946 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CNCCCF)o1 ZINC000225484179 262372895 /nfs/dbraw/zinc/37/28/95/262372895.db2.gz ARQNBFPWYVOXBV-UHFFFAOYSA-N 0 3 265.303 3.843 50 0 CHAAHN COCCNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004700356 170001582 /nfs/dbraw/zinc/00/15/82/170001582.db2.gz YBBBSKSSSDWBFS-UHFFFAOYSA-N 0 3 293.451 3.723 50 0 CHAAHN c1ccc2c(c1)CCC[C@@H]2NCc1ccc2c(c1)OCO2 ZINC000004891863 170036861 /nfs/dbraw/zinc/03/68/61/170036861.db2.gz UZGDMLFZPIJWMB-INIZCTEOSA-N 0 3 281.355 3.583 50 0 CHAAHN CC[C@@H](CO)NCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942964 170043721 /nfs/dbraw/zinc/04/37/21/170043721.db2.gz JSFOSCJNABWKJM-NSHDSACASA-N 0 3 297.757 3.600 50 0 CHAAHN Brc1cccc(CN2CCCCCC2)c1 ZINC000004990262 170050405 /nfs/dbraw/zinc/05/04/05/170050405.db2.gz ZISKEZUFLBKFEK-UHFFFAOYSA-N 0 3 268.198 3.825 50 0 CHAAHN Cc1ccc2c(CN3C[C@@H](C)C[C@H](C)C3)cc(=O)oc2c1 ZINC000005163218 170072507 /nfs/dbraw/zinc/07/25/07/170072507.db2.gz GYQYYSLJMFFRTC-KBPBESRZSA-N 0 3 285.387 3.579 50 0 biogenic CHAAHN C[C@H]1C[C@H](C)CN(CC(=O)Nc2cccc3ccccc32)C1 ZINC000006730761 170235024 /nfs/dbraw/zinc/23/50/24/170235024.db2.gz JYCLAIHWADDGSC-GJZGRUSLSA-N 0 3 296.414 3.756 50 0 CHAAHN COc1cccc(CNC2CC2)c1OCc1ccc(C)cc1 ZINC000006746740 170239525 /nfs/dbraw/zinc/23/95/25/170239525.db2.gz XPMYYBSODJWZTO-UHFFFAOYSA-N 0 3 297.398 3.835 50 0 CHAAHN CCOCCCNCc1ccc(-c2ccccc2F)o1 ZINC000007524309 170288934 /nfs/dbraw/zinc/28/89/34/170288934.db2.gz GBJOEURCTUGEBT-UHFFFAOYSA-N 0 3 277.339 3.602 50 0 CHAAHN Cc1[nH]c2ccccc2c(=O)c1CN1CCCC[C@@H]1C ZINC000008700824 170346652 /nfs/dbraw/zinc/34/66/52/170346652.db2.gz JJXANMHQTDJDOF-LBPRGKRZSA-N 0 3 270.376 3.623 50 0 CHAAHN Cc1cc(C)c2c(c1)[nH]c(C)c(CN1CCCCC1)c2=O ZINC000008717413 170349207 /nfs/dbraw/zinc/34/92/07/170349207.db2.gz RNPAVVLTGUCHMV-UHFFFAOYSA-N 0 3 284.403 3.852 50 0 CHAAHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(C)s2)c1 ZINC000020187663 171052886 /nfs/dbraw/zinc/05/28/86/171052886.db2.gz GGRQPYCMIUYYIG-LBPRGKRZSA-N 0 3 288.416 3.866 50 0 CHAAHN Fc1ccccc1CC1CCN(Cc2ccccn2)CC1 ZINC000020204927 171070683 /nfs/dbraw/zinc/07/06/83/171070683.db2.gz CEULXQISIMMGTL-UHFFFAOYSA-N 0 3 284.378 3.675 50 0 CHAAHN C[C@@H]1NCc2c3c(sc2-n2cccc21)CCCC3 ZINC000020865006 171276755 /nfs/dbraw/zinc/27/67/55/171276755.db2.gz RNXJMUHDATVILC-JTQLQIEISA-N 0 3 258.390 3.582 50 0 CHAAHN OCC[C@H]1CCCCN1CCCc1ccccc1Cl ZINC000020909426 171279297 /nfs/dbraw/zinc/27/92/97/171279297.db2.gz WUFVVBDJZVHKLF-OAHLLOKOSA-N 0 3 281.827 3.510 50 0 CHAAHN CNCc1cc(-c2ccc(OC)c(Cl)c2)ccc1OC ZINC000038073311 174083217 /nfs/dbraw/zinc/08/32/17/174083217.db2.gz GXMNQZUHFHXBEO-UHFFFAOYSA-N 0 3 291.778 3.744 50 0 CHAAHN C[C@@H](NC1CCCC1)c1nc2c(s1)CCCC2 ZINC000065525995 175746829 /nfs/dbraw/zinc/74/68/29/175746829.db2.gz BOAWKNGSUGKAPE-SNVBAGLBSA-N 0 3 250.411 3.615 50 0 CHAAHN Fc1ccc([C@H](NCc2ccncc2)C2CCC2)cc1 ZINC000071857540 176279074 /nfs/dbraw/zinc/27/90/74/176279074.db2.gz QNOBOAKCPQYWBN-QGZVFWFLSA-N 0 3 270.351 3.852 50 0 CHAAHN CN(Cc1cccs1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000077323127 177252482 /nfs/dbraw/zinc/25/24/82/177252482.db2.gz XHHYFCMWBQYGJP-HNNXBMFYSA-N 0 3 286.444 3.706 50 0 CHAAHN Cc1ccc(-c2cc(CN3CCC[C@@H]3C)on2)cc1 ZINC000076115183 334073220 /nfs/dbraw/zinc/07/32/20/334073220.db2.gz AJXHCLZBFQZLFZ-ZDUSSCGKSA-N 0 3 256.349 3.634 50 0 CHAAHN c1ccc2oc(CN3CCC[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000052660917 526520508 /nfs/dbraw/zinc/52/05/08/526520508.db2.gz KSVLOICKWMICNZ-ZFWWWQNUSA-N 0 3 270.376 3.982 50 0 CHAAHN O=C(CNC1CCCCCC1)Nc1ccc(Cl)cc1 ZINC000036962636 567009746 /nfs/dbraw/zinc/00/97/46/567009746.db2.gz YNCDIYVULAUPPH-UHFFFAOYSA-N 0 3 280.799 3.591 50 0 CHAAHN C[C@@H](NC1(CO)CCC1)c1ccc(SC(F)F)cc1 ZINC000182428882 566840268 /nfs/dbraw/zinc/84/02/68/566840268.db2.gz YWFGQAINVWPKHP-SNVBAGLBSA-N 0 3 287.375 3.567 50 0 CHAAHN CCO[C@@H]1C[C@H](NCc2cccc(O)c2)C12CCCCC2 ZINC000075092250 566935071 /nfs/dbraw/zinc/93/50/71/566935071.db2.gz IIRGZAREOFZPFD-DLBZAZTESA-N 0 3 289.419 3.610 50 0 CHAAHN CCCCN1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002019930 566976724 /nfs/dbraw/zinc/97/67/24/566976724.db2.gz VEPZOLKTNZOTTQ-INIZCTEOSA-N 0 3 288.435 3.815 50 0 in-man CHAAHN CC[C@H](C)N(Cc1ccsc1)C[C@@H](O)COC(C)(C)C ZINC000169677990 566996694 /nfs/dbraw/zinc/99/66/94/566996694.db2.gz YOFBTXGSANEOPO-DZGCQCFKSA-N 0 3 299.480 3.525 50 0 CHAAHN c1ccc([C@H](NCc2cccc3c2OCO3)C2CC2)cc1 ZINC000036325160 566997467 /nfs/dbraw/zinc/99/74/67/566997467.db2.gz URZHZOFVFYUBGW-KRWDZBQOSA-N 0 3 281.355 3.656 50 0 CHAAHN Cc1noc(C2CCN([C@@H]3CCCc4ccccc43)CC2)n1 ZINC000065541136 567009546 /nfs/dbraw/zinc/00/95/46/567009546.db2.gz KVEVTQLHKVUENV-QGZVFWFLSA-N 0 3 297.402 3.635 50 0 CHAAHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2F)C1 ZINC000076093251 567029121 /nfs/dbraw/zinc/02/91/21/567029121.db2.gz DVFKFQVQRKBJBX-GOSISDBHSA-N 0 3 298.405 3.532 50 0 CHAAHN CCSc1ccc([C@H](C)NCc2ccnc(N)c2)cc1 ZINC000193500935 567059555 /nfs/dbraw/zinc/05/95/55/567059555.db2.gz SGIIZQILTIRDGC-LBPRGKRZSA-N 0 3 287.432 3.627 50 0 CHAAHN C[C@@H](NCc1ccc(Cl)cc1)[C@@H](O)c1ccccc1 ZINC000019871873 567123720 /nfs/dbraw/zinc/12/37/20/567123720.db2.gz IIIZQVIHVSROJK-MLGOLLRUSA-N 0 3 275.779 3.552 50 0 CHAAHN Fc1cccc(OC(F)F)c1CNCC1CCCC1 ZINC000095455360 567133189 /nfs/dbraw/zinc/13/31/89/567133189.db2.gz GZVUHMHXFCPQRP-UHFFFAOYSA-N 0 3 273.298 3.707 50 0 CHAAHN c1cncc(CNCc2ccc(OC3CCCC3)cc2)c1 ZINC000032128470 567190244 /nfs/dbraw/zinc/19/02/44/567190244.db2.gz FKTHQMOTAGYZBB-UHFFFAOYSA-N 0 3 282.387 3.693 50 0 CHAAHN CN1CCC(OC(c2ccccc2)c2ccccc2)CC1 ZINC000000056643 567817141 /nfs/dbraw/zinc/81/71/41/567817141.db2.gz OWQUZNMMYNAXSL-UHFFFAOYSA-N 0 3 281.399 3.887 50 0 world CHAAHN Cc1onc(-c2ccccc2)c1CN1CCCCC1 ZINC000000148085 567820380 /nfs/dbraw/zinc/82/03/80/567820380.db2.gz WNJZRDAMPJNRFY-UHFFFAOYSA-N 0 3 256.349 3.636 50 0 CHAAHN C[C@@H](Cc1ccccc1F)N1CCN(c2ccccc2)CC1 ZINC000000216203 567822422 /nfs/dbraw/zinc/82/24/22/567822422.db2.gz HESNJCULOIZPRG-INIZCTEOSA-N 0 3 298.405 3.579 50 0 CHAAHN CN(C)Cc1ccccc1Sc1ccccc1O ZINC000000346287 567825823 /nfs/dbraw/zinc/82/58/23/567825823.db2.gz LIUYMMIIJPJJSD-UHFFFAOYSA-N 0 3 259.374 3.605 50 0 CHAAHN COc1cccc(C(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000002514549 567846139 /nfs/dbraw/zinc/84/61/39/567846139.db2.gz PNWURPPCXNCDGF-UHFFFAOYSA-N 0 3 295.382 3.522 50 0 CHAAHN Cc1cccc(C(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000002514546 567846276 /nfs/dbraw/zinc/84/62/76/567846276.db2.gz MIMNIWBEFNDTGJ-UHFFFAOYSA-N 0 3 279.383 3.822 50 0 CHAAHN Brc1cccc(CNCc2ccccc2)c1 ZINC000002576233 567848327 /nfs/dbraw/zinc/84/83/27/567848327.db2.gz PVXFHGJZYYWYQI-UHFFFAOYSA-N 0 3 276.177 3.739 50 0 CHAAHN c1csc(CNCc2cccc(Oc3ncccn3)c2)c1 ZINC000013731573 567867375 /nfs/dbraw/zinc/86/73/75/567867375.db2.gz QKIRCRNCXLMUPP-UHFFFAOYSA-N 0 3 297.383 3.620 50 0 CHAAHN OC12C[C@@H]3C[C@H](C1)CC(NCc1ccccc1Cl)(C3)C2 ZINC000013728971 567867692 /nfs/dbraw/zinc/86/76/92/567867692.db2.gz CYZNIZROQNXYQL-ZPVISIIKSA-N 0 3 291.822 3.513 50 0 CHAAHN CCc1ccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019359629 567877230 /nfs/dbraw/zinc/87/72/30/567877230.db2.gz KBQRNTCAIKTVIE-LJQANCHMSA-N 0 3 298.474 3.723 50 0 CHAAHN CC1CCC(N2CCN(Cc3ccccc3F)CC2)CC1 ZINC000019359623 567877647 /nfs/dbraw/zinc/87/76/47/567877647.db2.gz ROQLCEYBXCUCLX-UHFFFAOYSA-N 0 3 290.426 3.522 50 0 CHAAHN N[C@@H](c1ccc(Br)cc1)c1cccc(F)c1 ZINC000019414902 567878207 /nfs/dbraw/zinc/87/82/07/567878207.db2.gz JZZZTEUUWLTJCJ-ZDUSSCGKSA-N 0 3 280.140 3.636 50 0 CHAAHN CC(C)CCNCc1cc(Br)ccc1F ZINC000019911814 567879488 /nfs/dbraw/zinc/87/94/88/567879488.db2.gz GNGOKJFTYRSJTI-UHFFFAOYSA-N 0 3 274.177 3.724 50 0 CHAAHN Cc1ccc(CNC[C@H](c2cccs2)N2CCCC2)o1 ZINC000023257931 567881746 /nfs/dbraw/zinc/88/17/46/567881746.db2.gz ZPLDIBJXBZZPMM-OAHLLOKOSA-N 0 3 290.432 3.576 50 0 CHAAHN CCCCC(=O)NC[C@H](c1ccccc1)N1CCCCC1 ZINC000028291880 567883625 /nfs/dbraw/zinc/88/36/25/567883625.db2.gz ZIEQJYRJCBGBSX-QGZVFWFLSA-N 0 3 288.435 3.520 50 0 CHAAHN CCn1ncc2c1CCC[C@H]2NCc1cccc(Cl)c1 ZINC000072298482 567885104 /nfs/dbraw/zinc/88/51/04/567885104.db2.gz UJJLSEIGQSYKBC-OAHLLOKOSA-N 0 3 289.810 3.724 50 0 CHAAHN C[C@H](CN(C)Cc1cccc(-n2cccn2)c1)C(F)(F)F ZINC000072454456 567903230 /nfs/dbraw/zinc/90/32/30/567903230.db2.gz TZZULZQECIIJTQ-GFCCVEGCSA-N 0 3 297.324 3.503 50 0 CHAAHN Cc1nn(Cc2ccccc2)c(Cl)c1CNCC(C)C ZINC000098081498 567907372 /nfs/dbraw/zinc/90/73/72/567907372.db2.gz VKYBRVRZAIEJLZ-UHFFFAOYSA-N 0 3 291.826 3.639 50 0 CHAAHN C[C@@H]1CCCN1Cc1ccc(-c2cn[nH]c2)cc1Cl ZINC000096150390 567909796 /nfs/dbraw/zinc/90/97/96/567909796.db2.gz HFHBAKAWVUEFGD-LLVKDONJSA-N 0 3 275.783 3.714 50 0 CHAAHN O[C@]12CCCC[C@H]1CN(Cc1cc3ccccc3o1)CC2 ZINC000097698785 567910748 /nfs/dbraw/zinc/91/07/48/567910748.db2.gz OIDPQTUHUSLSGG-YJBOKZPZSA-N 0 3 285.387 3.560 50 0 CHAAHN Cc1ccc(CC2Sc3nc4ccccc4n3C2=O)cc1 ZINC000000547002 567943031 /nfs/dbraw/zinc/94/30/31/567943031.db2.gz DUANDLHVNYKVNR-OAHLLOKOSA-N 0 3 294.379 3.702 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CN[C@@H]2CCO[C@@H]2C)o1 ZINC000225526700 567953897 /nfs/dbraw/zinc/95/38/97/567953897.db2.gz LMKYQIPQPORYNZ-MLGOLLRUSA-N 0 3 289.350 3.661 50 0 CHAAHN CC(C)(CO)[C@H](NCc1cccs1)c1ccccc1 ZINC000225636645 567954399 /nfs/dbraw/zinc/95/43/99/567954399.db2.gz QPAFHUKNSBRVDX-OAHLLOKOSA-N 0 3 275.417 3.598 50 0 CHAAHN CN1[C@H](c2ccccc2)CC(O)C[C@H]1c1ccccc1 ZINC000000353984 570264918 /nfs/dbraw/zinc/26/49/18/570264918.db2.gz CVCRCZBXPUGBNK-ROUUACIJSA-N 0 3 267.372 3.556 50 0 CHAAHN C[C@H](c1ccco1)N(C)Cc1ccccc1-n1cccn1 ZINC000131027900 570269826 /nfs/dbraw/zinc/26/98/26/570269826.db2.gz PQZUINMNXJLKLR-CQSZACIVSA-N 0 3 281.359 3.658 50 0 CHAAHN CC(C)c1noc([C@@H]2CCCN(Cc3ccsc3)C2)n1 ZINC000215380501 570302822 /nfs/dbraw/zinc/30/28/22/570302822.db2.gz IENCTNHKIATMOY-CYBMUJFWSA-N 0 3 291.420 3.634 50 0 CHAAHN CCCc1ccc(CN(C)C2CCSCC2)o1 ZINC000215725610 570303680 /nfs/dbraw/zinc/30/36/80/570303680.db2.gz KVJSHBMOOGUMLW-UHFFFAOYSA-N 0 3 253.411 3.560 50 0 CHAAHN Cc1nccn1CCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000244811493 570321089 /nfs/dbraw/zinc/32/10/89/570321089.db2.gz SDTOGCXUMXSOFT-KRWDZBQOSA-N 0 3 287.382 3.558 50 0 CHAAHN Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1CN ZINC000255190660 570323196 /nfs/dbraw/zinc/32/31/96/570323196.db2.gz YPYNKTNKZCIKGQ-UHFFFAOYSA-N 0 3 255.239 3.733 50 0 CHAAHN Cc1c([C@H]2CCCN2Cc2cccc3[nH]ccc32)cnn1C ZINC000091967929 570371395 /nfs/dbraw/zinc/37/13/95/570371395.db2.gz HXDOCYKZDUKNCF-GOSISDBHSA-N 0 3 294.402 3.547 50 0 CHAAHN c1ccc(CN2CCCCC[C@H]2c2ccncc2)nc1 ZINC000095351187 570371862 /nfs/dbraw/zinc/37/18/62/570371862.db2.gz AXNZDEOHWQOCIN-KRWDZBQOSA-N 0 3 267.376 3.594 50 0 CHAAHN CC1CCC(N2CCN(c3ccccc3F)CC2)CC1 ZINC000000279918 570382677 /nfs/dbraw/zinc/38/26/77/570382677.db2.gz NYNJLYARZPZQCF-UHFFFAOYSA-N 0 3 276.399 3.526 50 0 CHAAHN COc1ccc2c(c1)nc(C)cc2NCc1ccco1 ZINC000041474094 570404162 /nfs/dbraw/zinc/40/41/62/570404162.db2.gz PKWQQSRIXTXXJP-UHFFFAOYSA-N 0 3 268.316 3.757 50 0 CHAAHN CO[C@@H]1CCCN(Cc2ccc(-c3ccc(C)cc3)o2)C1 ZINC000509125894 1121590532 /nfs/dbraw/zinc/59/05/32/1121590532.db2.gz SKIWLYLHXITVHW-MRXNPFEDSA-N 0 3 285.387 3.866 50 0 CHAAHN C[C@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)F)nc1 ZINC000658024536 1130675808 /nfs/dbraw/zinc/67/58/08/1130675808.db2.gz YKXVFDCFNRSLQF-UWVGGRQHSA-N 0 3 293.317 3.532 50 0 CHAAHN Cc1cc(C)c([C@@H](C)N[C@@H](C)c2cnn(C)c2)cc1C ZINC000095968479 185046913 /nfs/dbraw/zinc/04/69/13/185046913.db2.gz PBCFQAYEUNFVCA-LSDHHAIUSA-N 0 3 271.408 3.757 50 0 CHAAHN CC[C@@H](NCc1ccc(C(C)C)cc1)c1cncn1C ZINC000095996308 185060164 /nfs/dbraw/zinc/06/01/64/185060164.db2.gz ZRMUNANHRBLFBF-MRXNPFEDSA-N 0 3 271.408 3.784 50 0 CHAAHN C[C@H](N[C@H]1CCCC[C@@H]1Oc1ccccc1)c1cnccn1 ZINC000097032867 185156267 /nfs/dbraw/zinc/15/62/67/185156267.db2.gz OENMATXWESJNRB-ZVZYQTTQSA-N 0 3 297.402 3.517 50 0 CHAAHN CCc1ccc([C@H](C)N[C@H]2CCO[C@]3(CCSC3)C2)o1 ZINC000090542111 180000746 /nfs/dbraw/zinc/00/07/46/180000746.db2.gz ZZDNZXRLQJBYGM-HEHGZKQESA-N 0 3 295.448 3.547 50 0 CHAAHN CC[C@@H](NCc1cccc(C(=O)NC)c1)c1ccc(C)cc1 ZINC000095420949 184977132 /nfs/dbraw/zinc/97/71/32/184977132.db2.gz MBHZJBASIYFSNG-GOSISDBHSA-N 0 3 296.414 3.596 50 0 CHAAHN Cc1ccc(CN2CCN(c3ccc(C)cc3)CC2)s1 ZINC000016662612 134696700 /nfs/dbraw/zinc/69/67/00/134696700.db2.gz WCOSMTJKGKQXLI-UHFFFAOYSA-N 0 3 286.444 3.687 50 0 CHAAHN c1ccc(COc2ccccc2CNC[C@H]2CCCO2)cc1 ZINC000004813896 170021796 /nfs/dbraw/zinc/02/17/96/170021796.db2.gz SJOLFEXJTQZBFV-GOSISDBHSA-N 0 3 297.398 3.534 50 0 CHAAHN Cc1cc(OCCN2CCCCC2)cc(C(C)C)c1 ZINC000004845179 170029575 /nfs/dbraw/zinc/02/95/75/170029575.db2.gz KRJGOUVYCJXEMG-UHFFFAOYSA-N 0 3 261.409 3.983 50 0 CHAAHN COc1cc(CNC2CC2)ccc1OCc1cccs1 ZINC000004942828 170042927 /nfs/dbraw/zinc/04/29/27/170042927.db2.gz IKXURUMDZQCCBV-UHFFFAOYSA-N 0 3 289.400 3.588 50 0 CHAAHN C[C@@H](C(=O)c1c[nH]c2ccccc12)N1C[C@H](C)C[C@@H](C)C1 ZINC000005557332 170112986 /nfs/dbraw/zinc/11/29/86/170112986.db2.gz BMYNOEXNAKSRKS-MCIONIFRSA-N 0 3 284.403 3.717 50 0 CHAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(C)cc1 ZINC000005683734 170128366 /nfs/dbraw/zinc/12/83/66/170128366.db2.gz PCVORMWCOXVSHT-GOSISDBHSA-N 0 3 292.382 3.720 50 0 CHAAHN Cc1ccc(C)c2c(=O)c(CN3CCCC[C@@H]3C)c(C)[nH]c12 ZINC000005800599 170141704 /nfs/dbraw/zinc/14/17/04/170141704.db2.gz REGDHZGHWTUHJC-AWEZNQCLSA-N 0 3 298.430 3.828 50 0 CHAAHN CC(C)=CCC[C@H](C)C[C@H]1OC[C@H](CN2CCCCC2)O1 ZINC000006182933 170181247 /nfs/dbraw/zinc/18/12/47/170181247.db2.gz BABQJPAGASLVKB-BZSNNMDCSA-N 0 3 295.467 3.986 50 0 CHAAHN CCNCc1ccccc1OCc1ccc(C)cc1 ZINC000006744542 170238904 /nfs/dbraw/zinc/23/89/04/170238904.db2.gz MZICNEIPSWEQDY-UHFFFAOYSA-N 0 3 255.361 3.684 50 0 CHAAHN CCCCc1ccc2[nH]c(C)c(CN(C)C)c(=O)c2c1 ZINC000008717209 170349130 /nfs/dbraw/zinc/34/91/30/170349130.db2.gz OIHKUHGWJHOYPT-UHFFFAOYSA-N 0 3 272.392 3.653 50 0 CHAAHN Cc1[nH]c2ccc(F)cc2c(=O)c1CN1CCC[C@@H](C)C1 ZINC000008717118 170349424 /nfs/dbraw/zinc/34/94/24/170349424.db2.gz QNCSYIWJDHAUIC-LLVKDONJSA-N 0 3 288.366 3.620 50 0 CHAAHN CNCc1cc(F)ccc1Oc1ccc(Cl)cc1 ZINC000012359681 170479285 /nfs/dbraw/zinc/47/92/85/170479285.db2.gz PMXOUAJLQYBUOO-UHFFFAOYSA-N 0 3 265.715 3.991 50 0 CHAAHN Fc1cccc(F)c1CNCCc1c[nH]c2ccccc12 ZINC000020122472 171003093 /nfs/dbraw/zinc/00/30/93/171003093.db2.gz ACTIJSXJXMNFCX-UHFFFAOYSA-N 0 3 286.325 3.778 50 0 CHAAHN Fc1ccc(CC2CCN(Cc3ccccn3)CC2)cc1 ZINC000020352243 171156190 /nfs/dbraw/zinc/15/61/90/171156190.db2.gz SLDHPVWRACWJRC-UHFFFAOYSA-N 0 3 284.378 3.675 50 0 CHAAHN Cc1nc(-c2ccc(N[C@@H]3CN4CCC3CC4)cc2)cs1 ZINC000020441733 171204664 /nfs/dbraw/zinc/20/46/64/171204664.db2.gz DNGWBFXECJFYDW-MRXNPFEDSA-N 0 3 299.443 3.625 50 0 CHAAHN CC(C)C[C@H](CNCc1c(F)cccc1Cl)N(C)C ZINC000020564732 171253403 /nfs/dbraw/zinc/25/34/03/171253403.db2.gz YDPACEROMKCYDF-GFCCVEGCSA-N 0 3 286.822 3.545 50 0 CHAAHN CCc1onc(C)c1[C@H]1CCCN1Cc1ccc(O)cc1 ZINC000021720970 171320759 /nfs/dbraw/zinc/32/07/59/171320759.db2.gz XISRWSVBHOSFNN-OAHLLOKOSA-N 0 3 286.375 3.588 50 0 CHAAHN O=C(Nc1ccccc1CN1CCCC1)c1cccc(F)c1 ZINC000040090881 174189443 /nfs/dbraw/zinc/18/94/43/174189443.db2.gz ACEGWKNVLBNOEM-UHFFFAOYSA-N 0 3 298.361 3.674 50 0 CHAAHN CC(C)(C)CNCc1ccccc1Br ZINC000040492671 174292751 /nfs/dbraw/zinc/29/27/51/174292751.db2.gz GPRSFRMPWCKJJN-UHFFFAOYSA-N 0 3 256.187 3.585 50 0 CHAAHN COc1ccccc1C(C)(C)NCc1cccs1 ZINC000071799216 176265530 /nfs/dbraw/zinc/26/55/30/176265530.db2.gz KCGYKJCSVURATN-UHFFFAOYSA-N 0 3 261.390 3.782 50 0 CHAAHN C(=C/c1ccccc1)\CN1CCC[C@@H]1c1ccccn1 ZINC000072146663 176324648 /nfs/dbraw/zinc/32/46/48/176324648.db2.gz HJJRMSMZQPZYJV-WGLAMXGCSA-N 0 3 264.372 3.932 50 0 CHAAHN CSCCCN(C)Cc1cc(-c2ccccc2)no1 ZINC000072159034 176329191 /nfs/dbraw/zinc/32/91/91/176329191.db2.gz JSHDMYLGPBKWIV-UHFFFAOYSA-N 0 3 276.405 3.527 50 0 CHAAHN Cc1nc[nH]c1CN1CCCC[C@@H]1CCc1cccs1 ZINC000077356827 177256936 /nfs/dbraw/zinc/25/69/36/177256936.db2.gz URFUKCXCUPOHGE-CQSZACIVSA-N 0 3 289.448 3.767 50 0 CHAAHN O[C@H](CNCc1ccccc1)c1ccc2ccccc2c1 ZINC000037873777 333542102 /nfs/dbraw/zinc/54/21/02/333542102.db2.gz CTNYAHYHHWIJAG-LJQANCHMSA-N 0 3 277.367 3.663 50 0 CHAAHN CC[C@H](COC)N[C@@H](C)c1ccc(Br)s1 ZINC000070657884 570248776 /nfs/dbraw/zinc/24/87/76/570248776.db2.gz QRMYKNDQERPTPB-DTWKUNHWSA-N 0 3 292.242 3.586 50 0 CHAAHN CCCN[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000018937924 566829301 /nfs/dbraw/zinc/82/93/01/566829301.db2.gz WHXHLSDRIXDECB-KRWDZBQOSA-N 0 3 282.387 3.674 50 0 CHAAHN CCN(CC)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000082609091 566918575 /nfs/dbraw/zinc/91/85/75/566918575.db2.gz LBFZKTNUEFENLG-OAHLLOKOSA-N 0 3 292.423 3.594 50 0 CHAAHN C[C@H]1[C@H](O)[C@@H](C)[C@H](c2cccs2)N[C@H]1c1cccs1 ZINC000239562561 566966684 /nfs/dbraw/zinc/96/66/84/566966684.db2.gz CPNYMZKNSCYTRC-DTIWESFOSA-N 0 3 293.457 3.828 50 0 CHAAHN CN1CCC(SCc2cccc(Cl)c2)CC1 ZINC000002529354 566975264 /nfs/dbraw/zinc/97/52/64/566975264.db2.gz MRFFNOGKJUWALW-UHFFFAOYSA-N 0 3 255.814 3.667 50 0 CHAAHN CC(C)Oc1ccc(-c2ccc([C@H](C)N(C)C)cc2)nn1 ZINC000426618353 566991878 /nfs/dbraw/zinc/99/18/78/566991878.db2.gz OOLRMDCSSNSKJS-ZDUSSCGKSA-N 0 3 285.391 3.553 50 0 CHAAHN C([C@@H]1CO[C@]2(CC[C@H]3CCCC[C@H]3C2)O1)N1CCCCC1 ZINC000239432991 567009865 /nfs/dbraw/zinc/00/98/65/567009865.db2.gz XBGMCAWJVPHBRD-XMTFNYHQSA-N 0 3 293.451 3.574 50 0 CHAAHN Cc1[nH]ncc1CNc1ccc(Oc2ccccc2)cn1 ZINC000170596928 567011775 /nfs/dbraw/zinc/01/17/75/567011775.db2.gz ZFCIBKSJRIZSNA-UHFFFAOYSA-N 0 3 280.331 3.518 50 0 CHAAHN COc1cccc2cc([C@@H](C)NCCc3ccccn3)oc21 ZINC000089904627 567030808 /nfs/dbraw/zinc/03/08/08/567030808.db2.gz XFENJZSDFKBCJU-CYBMUJFWSA-N 0 3 296.370 3.730 50 0 CHAAHN CC(C)(O)c1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000193305050 567058476 /nfs/dbraw/zinc/05/84/76/567058476.db2.gz KBNFAQQVJJKJDE-MRXNPFEDSA-N 0 3 285.387 3.674 50 0 CHAAHN CCOc1cc(CN[C@@H](C)c2sccc2C)ccn1 ZINC000095420324 567131009 /nfs/dbraw/zinc/13/10/09/567131009.db2.gz JHNZYCWMJRDGGL-LBPRGKRZSA-N 0 3 276.405 3.701 50 0 CHAAHN C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccccc1Cl ZINC000095389746 567128563 /nfs/dbraw/zinc/12/85/63/567128563.db2.gz PVWOAYIOLDHXGL-OLZOCXBDSA-N 0 3 295.810 3.676 50 0 CHAAHN CC(C)[C@H](NCC(N)=O)c1ccc(C2CCCCC2)cc1 ZINC000057364670 567154892 /nfs/dbraw/zinc/15/48/92/567154892.db2.gz VFTLAMUROCIDIA-SFHVURJKSA-N 0 3 288.435 3.506 50 0 CHAAHN COc1ccc(Cl)cc1CN(C)CC[C@H]1CC1(F)F ZINC000670446033 567176553 /nfs/dbraw/zinc/17/65/53/567176553.db2.gz VRKMCCZRQMLCIX-NSHDSACASA-N 0 3 289.753 3.826 50 0 CHAAHN CN1[C@@H](c2ccccc2)CC(C)(O)C[C@@H]1c1ccccc1 ZINC000000208439 567822163 /nfs/dbraw/zinc/82/21/63/567822163.db2.gz YKVNCLSIBPRPTL-QZTJIDSGSA-N 0 3 281.399 3.946 50 0 CHAAHN CN(Cc1c(Cl)cccc1Cl)C1CCN(C)CC1 ZINC000000214529 567822653 /nfs/dbraw/zinc/82/26/53/567822653.db2.gz WOXUBPXCLIAHSL-UHFFFAOYSA-N 0 3 287.234 3.519 50 0 CHAAHN c1ccc(CN2CCc3[nH]c4ccccc4c3CC2)cc1 ZINC000002036930 567843990 /nfs/dbraw/zinc/84/39/90/567843990.db2.gz WOFLJLUPWUTFQQ-UHFFFAOYSA-N 0 3 276.383 3.769 50 0 CHAAHN Cc1cc(C)c2c(CN3CCCC[C@H]3C)cc(=O)oc2c1 ZINC000002365317 567845623 /nfs/dbraw/zinc/84/56/23/567845623.db2.gz FOXGHKCOGKUNIR-CQSZACIVSA-N 0 3 285.387 3.784 50 0 biogenic CHAAHN CCCCCCN1CCN(c2ccccc2C)CC1 ZINC000004054451 567855171 /nfs/dbraw/zinc/85/51/71/567855171.db2.gz OPCVTJSKVZXGCZ-UHFFFAOYSA-N 0 3 260.425 3.697 50 0 CHAAHN Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1 ZINC000012503099 567863546 /nfs/dbraw/zinc/86/35/46/567863546.db2.gz CBEQULMOCCWAQT-WOJGMQOQSA-N 0 3 278.399 3.918 50 0 fda CHAAHN CN1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012575638 567863632 /nfs/dbraw/zinc/86/36/32/567863632.db2.gz KHRADFFRCSEJCH-GOSISDBHSA-N 0 3 279.383 3.878 50 0 CHAAHN Cc1c(C)c(C)c(CSC2=NC[C@@H](C)N2)c(C)c1C ZINC000013464778 567866435 /nfs/dbraw/zinc/86/64/35/567866435.db2.gz CCMARQZPNDFALT-SECBINFHSA-N 0 3 276.449 3.810 50 0 CHAAHN COc1cc(CNC2CC2)ccc1OCc1ccccc1C ZINC000016362745 567872722 /nfs/dbraw/zinc/87/27/22/567872722.db2.gz QWLZYLUPZAWJPB-UHFFFAOYSA-N 0 3 297.398 3.835 50 0 CHAAHN O=C(Nc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000016606521 567873366 /nfs/dbraw/zinc/87/33/66/567873366.db2.gz XSDOUTCGNPXQDF-UHFFFAOYSA-N 0 3 294.398 3.537 50 0 CHAAHN N[C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000019425979 567878058 /nfs/dbraw/zinc/87/80/58/567878058.db2.gz YYVCIDGLFCZXAV-CYBMUJFWSA-N 0 3 280.140 3.636 50 0 CHAAHN CCCCN[C@H](C)c1ccccc1Br ZINC000019907006 567879517 /nfs/dbraw/zinc/87/95/17/567879517.db2.gz PDCQELOYFSUYFS-SNVBAGLBSA-N 0 3 256.187 3.900 50 0 CHAAHN OC[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000023115014 567881685 /nfs/dbraw/zinc/88/16/85/567881685.db2.gz JIFACQLQJFFQTP-KRWDZBQOSA-N 0 3 297.398 3.683 50 0 CHAAHN CC(C)Oc1cccc(CNCc2ccccc2)c1 ZINC000032108818 567885418 /nfs/dbraw/zinc/88/54/18/567885418.db2.gz GMFWDAXLAJXTNA-UHFFFAOYSA-N 0 3 255.361 3.764 50 0 CHAAHN CCc1nc(C)c([C@H](C)N(C)CCc2ccccn2)s1 ZINC000096424499 567897031 /nfs/dbraw/zinc/89/70/31/567897031.db2.gz GWJJNDTZEWSBMC-ZDUSSCGKSA-N 0 3 289.448 3.644 50 0 CHAAHN Cc1cccc([C@@H](C)NCc2ccc(C3OCCO3)cc2)c1 ZINC000096477581 567897520 /nfs/dbraw/zinc/89/75/20/567897520.db2.gz ANROPBYYWSNQDY-OAHLLOKOSA-N 0 3 297.398 3.891 50 0 CHAAHN Cc1ccc([C@@H](C)NCCC(=O)Nc2ccccc2C)o1 ZINC000097111291 567904502 /nfs/dbraw/zinc/90/45/02/567904502.db2.gz RFTWKCWWIXIVSH-CQSZACIVSA-N 0 3 286.375 3.576 50 0 CHAAHN Cc1ccc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000016247762 567908472 /nfs/dbraw/zinc/90/84/72/567908472.db2.gz MPQYZXUZHVKOLR-CALCHBBNSA-N 0 3 291.435 3.572 50 0 CHAAHN CN(Cc1ccncc1)C[C@]1(c2ccccc2)CC1(C)C ZINC000097679874 567911127 /nfs/dbraw/zinc/91/11/27/567911127.db2.gz IMXZNFFBZJNWLL-IBGZPJMESA-N 0 3 280.415 3.881 50 0 CHAAHN C[C@H](NCCc1c(Cl)cccc1Cl)c1cc[nH]n1 ZINC000253415947 567930581 /nfs/dbraw/zinc/93/05/81/567930581.db2.gz OBWSIRBKSYTXCR-VIFPVBQESA-N 0 3 284.190 3.610 50 0 CHAAHN Cc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000300271911 567932149 /nfs/dbraw/zinc/93/21/49/567932149.db2.gz KAHOWODVHWFFNT-RDJZCZTQSA-N 0 3 293.838 3.775 50 0 CHAAHN CCN(C/C=C/c1ccc(F)cc1)C[C@H]1CCCCO1 ZINC000214973575 567947100 /nfs/dbraw/zinc/94/71/00/567947100.db2.gz RERULZSSIZXLMV-FUTAKVPZSA-N 0 3 277.383 3.730 50 0 CHAAHN CC/C=C\CCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000216189628 567947583 /nfs/dbraw/zinc/94/75/83/567947583.db2.gz XYVUIDKUDVXZHN-ARJAWSKDSA-N 0 3 269.392 3.709 50 0 CHAAHN CC[C@H](C)N(Cc1c[nH]c(C)n1)Cc1ccc(C)cc1 ZINC000055099136 570240374 /nfs/dbraw/zinc/24/03/74/570240374.db2.gz MOPYQLMODYTHTA-AWEZNQCLSA-N 0 3 271.408 3.827 50 0 CHAAHN CC[C@H](C)N(Cc1cnc(C)[nH]1)Cc1ccc(C)cc1 ZINC000055099136 570240378 /nfs/dbraw/zinc/24/03/78/570240378.db2.gz MOPYQLMODYTHTA-AWEZNQCLSA-N 0 3 271.408 3.827 50 0 CHAAHN c1ncc(CN(Cc2cccnc2)C2CCCCCC2)[nH]1 ZINC000055244317 570242183 /nfs/dbraw/zinc/24/21/83/570242183.db2.gz SWALPQOLLDSOIN-UHFFFAOYSA-N 0 3 284.407 3.530 50 0 CHAAHN CCn1cc(CN(Cc2sccc2C)CC(C)C)cn1 ZINC000055253705 570242210 /nfs/dbraw/zinc/24/22/10/570242210.db2.gz YJPMERUOSFJUCF-UHFFFAOYSA-N 0 3 291.464 3.931 50 0 CHAAHN C[C@@H]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000000280005 570382913 /nfs/dbraw/zinc/38/29/13/570382913.db2.gz XGRCNMHFPNLYAF-CABCVRRESA-N 0 3 276.399 3.526 50 0 CHAAHN CN1CCC(c2nccn2CCC2=CCCCC2)CC1 ZINC000067966145 570401209 /nfs/dbraw/zinc/40/12/09/570401209.db2.gz XEQQTLJYICIGOZ-UHFFFAOYSA-N 0 3 273.424 3.583 50 0 CHAAHN Cc1ncsc1CN[C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000863982470 1128709348 /nfs/dbraw/zinc/70/93/48/1128709348.db2.gz OCPLAMBIZVCFPT-LLVKDONJSA-N 0 3 290.432 3.530 50 0 CHAAHN O[C@@H](CN1CC=C(Cc2ccccc2)CC1)c1ccccc1 ZINC000002491003 1118570426 /nfs/dbraw/zinc/57/04/26/1118570426.db2.gz CCDMAYQKTKHVBW-FQEVSTJZSA-N 0 3 293.410 3.595 50 0 CHAAHN CCO[C@@H]1C[C@H](N[C@@H](c2nccs2)C2CC2)C12CCC2 ZINC000095987958 185057022 /nfs/dbraw/zinc/05/70/22/185057022.db2.gz PGEDMXQKTUGDRT-BFHYXJOUSA-N 0 3 292.448 3.532 50 0 CHAAHN COc1ccccc1CN[C@H]1CCCc2ccccc21 ZINC000004817056 170022913 /nfs/dbraw/zinc/02/29/13/170022913.db2.gz NKUSQXVRDAGVMH-KRWDZBQOSA-N 0 3 267.372 3.862 50 0 CHAAHN CCCCOc1ccccc1OCCNCc1ccco1 ZINC000004842216 170028448 /nfs/dbraw/zinc/02/84/48/170028448.db2.gz JHLPDOZTRLNRMC-UHFFFAOYSA-N 0 3 289.375 3.627 50 0 CHAAHN CNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000004842372 170028558 /nfs/dbraw/zinc/02/85/58/170028558.db2.gz QRXLTSBBBBLZAZ-UHFFFAOYSA-N 0 3 256.132 3.973 50 0 CHAAHN C[C@@H](O)c1ccc(-c2ccc(CNC(C)(C)C)o2)cc1 ZINC000004942984 170043579 /nfs/dbraw/zinc/04/35/79/170043579.db2.gz JKAOLJRLHBQLCE-GFCCVEGCSA-N 0 3 273.376 3.888 50 0 CHAAHN C[C@H](O)c1ccc(-c2ccc(CNC(C)(C)C)o2)cc1 ZINC000004942983 170043729 /nfs/dbraw/zinc/04/37/29/170043729.db2.gz JKAOLJRLHBQLCE-LBPRGKRZSA-N 0 3 273.376 3.888 50 0 CHAAHN CN(C)Cc1cccc(Sc2cccc(O)c2)c1 ZINC000006637802 170220936 /nfs/dbraw/zinc/22/09/36/170220936.db2.gz AGWYILYRZKULHN-UHFFFAOYSA-N 0 3 259.374 3.605 50 0 CHAAHN CCOc1cc(CNCc2ccc(F)cc2)ccc1OC ZINC000008254361 170327465 /nfs/dbraw/zinc/32/74/65/170327465.db2.gz SFQZCSWLLPOORE-UHFFFAOYSA-N 0 3 289.350 3.523 50 0 CHAAHN Fc1ccc(CC2CCN(Cc3cccnc3)CC2)cc1 ZINC000020783717 171272741 /nfs/dbraw/zinc/27/27/41/171272741.db2.gz MNFBDEYOWQOIET-UHFFFAOYSA-N 0 3 284.378 3.675 50 0 CHAAHN CCn1c2ccccc2nc1[C@H](C)N1CCCCCC1 ZINC000021175851 171298978 /nfs/dbraw/zinc/29/89/78/171298978.db2.gz KKCGBHHBOSZEGW-AWEZNQCLSA-N 0 3 271.408 3.993 50 0 CHAAHN Clc1ccc(CNCc2ccc3nccnc3c2)cc1 ZINC000021635791 171317703 /nfs/dbraw/zinc/31/77/03/171317703.db2.gz CDBLXGKWIBFXSO-UHFFFAOYSA-N 0 3 283.762 3.573 50 0 CHAAHN CCN[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000035539015 172245787 /nfs/dbraw/zinc/24/57/87/172245787.db2.gz UIADRZHSZNPTFA-CQSZACIVSA-N 0 3 291.192 3.543 50 0 CHAAHN CCc1nc2c(c(C)c(C)n2Cc2ccccn2)c(N)c1C ZINC000040268006 174218630 /nfs/dbraw/zinc/21/86/30/174218630.db2.gz MXCWJDMEBRDWRM-UHFFFAOYSA-N 0 3 294.402 3.549 50 0 CHAAHN C[C@H](CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C)NCc1ccco1 ZINC000072334036 176370554 /nfs/dbraw/zinc/37/05/54/176370554.db2.gz HECRTIIJPYRXOR-VBQJREDUSA-N 0 3 289.419 3.955 50 0 CHAAHN Cc1ccc(CN[C@H](C)CC(=O)Nc2ccccc2)s1 ZINC000078432557 177341089 /nfs/dbraw/zinc/34/10/89/177341089.db2.gz LLBWUVWXYOTRRH-GFCCVEGCSA-N 0 3 288.416 3.563 50 0 CHAAHN COc1ccc(CN[C@@H]2C[C@H](C)c3ccccc32)cc1O ZINC000078553791 177353803 /nfs/dbraw/zinc/35/38/03/177353803.db2.gz YVFRZIVDPQVFBE-BLLLJJGKSA-N 0 3 283.371 3.739 50 0 CHAAHN COc1ccc(CN[C@H]2C[C@@H](C)c3ccccc32)cc1O ZINC000078553780 177353860 /nfs/dbraw/zinc/35/38/60/177353860.db2.gz YVFRZIVDPQVFBE-WBMJQRKESA-N 0 3 283.371 3.739 50 0 CHAAHN CCN(CC)CCNCc1ccc(-c2ccccc2F)o1 ZINC000019872547 520686760 /nfs/dbraw/zinc/68/67/60/520686760.db2.gz CDCKCUIJLHGLAS-UHFFFAOYSA-N 0 3 290.382 3.517 50 0 CHAAHN COc1cccc([C@@H]2CCCN2Cc2cc(C3CC3)[nH]n2)c1 ZINC000020109924 524118770 /nfs/dbraw/zinc/11/87/70/524118770.db2.gz AIURAZHFHJRXAS-SFHVURJKSA-N 0 3 297.402 3.633 50 0 CHAAHN COc1cccc([C@H]2CCCN2Cc2cc(C3CC3)[nH]n2)c1 ZINC000020109925 524177646 /nfs/dbraw/zinc/17/76/46/524177646.db2.gz AIURAZHFHJRXAS-GOSISDBHSA-N 0 3 297.402 3.633 50 0 CHAAHN CSc1ccc(CN[C@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000019872146 526006691 /nfs/dbraw/zinc/00/66/91/526006691.db2.gz IAOBRCUYXDCAQZ-CXAGYDPISA-N 0 3 287.428 3.620 50 0 CHAAHN CC(C)Nc1ncc2c(Cl)cc(C(F)(F)F)cn21 ZINC000263639895 570262158 /nfs/dbraw/zinc/26/21/58/570262158.db2.gz NMLWDVLPNXSNAE-UHFFFAOYSA-N 0 3 277.677 3.827 50 0 CHAAHN Cc1ccccc1NC(=O)CN[C@H]1CCCc2ccccc21 ZINC000003339707 566849650 /nfs/dbraw/zinc/84/96/50/566849650.db2.gz LJAADATYVQDVAG-SFHVURJKSA-N 0 3 294.398 3.601 50 0 CHAAHN COC(=O)C(C)(C)C(C)(C)NCc1cc2ccccc2o1 ZINC000075108073 566934868 /nfs/dbraw/zinc/93/48/68/566934868.db2.gz ORBOURWHXDYRKN-UHFFFAOYSA-N 0 3 289.375 3.500 50 0 CHAAHN Cc1ncsc1CN1CCC(OC2CCCCC2)CC1 ZINC000092736201 566971426 /nfs/dbraw/zinc/97/14/26/566971426.db2.gz OHTWTHWIKZZKKI-UHFFFAOYSA-N 0 3 294.464 3.765 50 0 CHAAHN Cc1ccc(C(OCCN(C)C)c2ccc(C)cc2)cc1 ZINC000002017304 566998742 /nfs/dbraw/zinc/99/87/42/566998742.db2.gz GCQBCPOXKWXSTH-UHFFFAOYSA-N 0 3 283.415 3.971 50 0 CHAAHN CCSc1ccc([C@@H](C)NCc2ccnc(N)c2)cc1 ZINC000193500923 567060347 /nfs/dbraw/zinc/06/03/47/567060347.db2.gz SGIIZQILTIRDGC-GFCCVEGCSA-N 0 3 287.432 3.627 50 0 CHAAHN CCN(CC)Cc1cncc(-c2ccc(F)cc2)c1 ZINC000037553698 567066935 /nfs/dbraw/zinc/06/69/35/567066935.db2.gz IUSFSVLIWULRMD-UHFFFAOYSA-N 0 3 258.340 3.730 50 0 CHAAHN CCC[C@]12CC[C@@H]3c4ccc(O)cc4CCN3[C@H]1CCC2=O ZINC000261361525 567119441 /nfs/dbraw/zinc/11/94/41/567119441.db2.gz KKAVQDMECOIUDA-AOIWGVFYSA-N 0 3 299.414 3.603 50 0 CHAAHN O[C@H](CN1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000002651815 567151083 /nfs/dbraw/zinc/15/10/83/567151083.db2.gz IWAGAOQLMHUERY-LJQANCHMSA-N 0 3 279.383 3.509 50 0 CHAAHN Cc1cc(C)c(OCCNCc2ccco2)c(Cl)c1 ZINC000003388237 567171552 /nfs/dbraw/zinc/17/15/52/567171552.db2.gz MEGPTYKAWCUTKZ-UHFFFAOYSA-N 0 3 279.767 3.718 50 0 CHAAHN CN(CC[C@H]1CC1(F)F)Cc1cc(-c2ccccc2)n[nH]1 ZINC000670446662 567178723 /nfs/dbraw/zinc/17/87/23/567178723.db2.gz ZEKCGUJIDQIRQC-ZDUSSCGKSA-N 0 3 291.345 3.554 50 0 CHAAHN CN(C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000004003073 567182164 /nfs/dbraw/zinc/18/21/64/567182164.db2.gz MRNQMYQVAKMUSY-UHFFFAOYSA-N 0 3 285.778 3.716 50 0 CHAAHN Cc1ncsc1CN1CCC2(CCc3ccccc32)CC1 ZINC000670464634 567194455 /nfs/dbraw/zinc/19/44/55/567194455.db2.gz MHYNSUVNKLWCSM-UHFFFAOYSA-N 0 3 298.455 3.932 50 0 CHAAHN Cc1c2ccccc2[nH]c1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000670473776 567197630 /nfs/dbraw/zinc/19/76/30/567197630.db2.gz VCWUUOYXKVWLKF-CQSZACIVSA-N 0 3 294.402 3.579 50 0 CHAAHN C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1cccc(F)c1 ZINC000003314805 567852353 /nfs/dbraw/zinc/85/23/53/567852353.db2.gz UBNHRPVZGCZIMM-MGPQQGTHSA-N 0 3 293.382 3.634 50 0 CHAAHN Brc1ccccc1[C@H]1CCCCCN1 ZINC000003734893 567853578 /nfs/dbraw/zinc/85/35/78/567853578.db2.gz SNRBUTFTTGDGDW-GFCCVEGCSA-N 0 3 254.171 3.654 50 0 CHAAHN CCOc1ccccc1CN[C@H](C)c1ccccc1 ZINC000004657446 567858910 /nfs/dbraw/zinc/85/89/10/567858910.db2.gz AWBQBHNWOOPLMA-CQSZACIVSA-N 0 3 255.361 3.936 50 0 CHAAHN C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000032819263 567869041 /nfs/dbraw/zinc/86/90/41/567869041.db2.gz XTNGALBJROLALQ-HNNXBMFYSA-N 0 3 277.371 3.723 50 0 CHAAHN C[C@@H]1C[C@@H](C)CN(Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000016695543 567873592 /nfs/dbraw/zinc/87/35/92/567873592.db2.gz FWNWUVHKTALMLV-VXGBXAGGSA-N 0 3 295.810 3.684 50 0 CHAAHN Cc1ccc2c(c1)c1c(n2CN2CCCCC2)C(=O)CCC1 ZINC000019639488 567877946 /nfs/dbraw/zinc/87/79/46/567877946.db2.gz UTUROIWRZALJEU-UHFFFAOYSA-N 0 3 296.414 3.912 50 0 CHAAHN Fc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000019608351 567878169 /nfs/dbraw/zinc/87/81/69/567878169.db2.gz MQJWUWLVUZGILY-MRXNPFEDSA-N 0 3 266.319 3.542 50 0 CHAAHN COc1ccccc1[C@H](C)NCc1sccc1C ZINC000020096646 567880684 /nfs/dbraw/zinc/88/06/84/567880684.db2.gz MMERQMLMIXAIQY-LBPRGKRZSA-N 0 3 261.390 3.916 50 0 CHAAHN Fc1cccc(Br)c1CNC1CCCC1 ZINC000027909358 567883447 /nfs/dbraw/zinc/88/34/47/567883447.db2.gz OTAMSXHRNBWMKN-UHFFFAOYSA-N 0 3 272.161 3.620 50 0 CHAAHN CSc1ccc(CN(C)C[C@H](O)c2ccccc2)cc1 ZINC000023280364 567887993 /nfs/dbraw/zinc/88/79/93/567887993.db2.gz RBIIRMRDFYETDX-KRWDZBQOSA-N 0 3 287.428 3.574 50 0 CHAAHN CCOc1ccccc1CN(C)CCc1ccccc1 ZINC000023282245 567888710 /nfs/dbraw/zinc/88/87/10/567888710.db2.gz BGDLXJFKOJYJNQ-UHFFFAOYSA-N 0 3 269.388 3.760 50 0 CHAAHN Cc1cc(C)c(CN(C)[C@@H](C)c2ccco2)c(C)c1CO ZINC000055227284 567894264 /nfs/dbraw/zinc/89/42/64/567894264.db2.gz FVWJLBHNHTURRQ-HNNXBMFYSA-N 0 3 287.403 3.890 50 0 CHAAHN Cc1cc([C@@H]2CCCN2Cc2sccc2C)on1 ZINC000064666877 567898140 /nfs/dbraw/zinc/89/81/40/567898140.db2.gz KXQBJZGNTUPSGW-LBPRGKRZSA-N 0 3 262.378 3.690 50 0 CHAAHN C[C@@H](c1ccc(-c2nccn2Cc2ccco2)cc1)N(C)C ZINC000067886056 567900592 /nfs/dbraw/zinc/90/05/92/567900592.db2.gz HGOVIVDEWYLDGZ-AWEZNQCLSA-N 0 3 295.386 3.814 50 0 CHAAHN CSc1cccc(CN2CC[C@@](O)(c3ccccc3)C2)c1 ZINC000097604243 567911121 /nfs/dbraw/zinc/91/11/21/567911121.db2.gz YFSRVZWESBGALR-SFHVURJKSA-N 0 3 299.439 3.502 50 0 CHAAHN Nc1nc(-c2ccc(-c3ccc(F)cc3Cl)cc2)c[nH]1 ZINC000426490043 567929059 /nfs/dbraw/zinc/92/90/59/567929059.db2.gz BVSDSFYIQZYINP-UHFFFAOYSA-N 0 3 287.725 3.949 50 0 CHAAHN C[C@H](N[C@H]1CCCC[C@H]1Oc1ccccc1)c1cnccn1 ZINC000253370245 567930547 /nfs/dbraw/zinc/93/05/47/567930547.db2.gz OENMATXWESJNRB-QILLFSRXSA-N 0 3 297.402 3.517 50 0 CHAAHN c1ccc(-c2ccc(CSC3=NCCN3)cc2)cc1 ZINC000014169358 567942530 /nfs/dbraw/zinc/94/25/30/567942530.db2.gz IAZKQULZXDAQOV-UHFFFAOYSA-N 0 3 268.385 3.546 50 0 CHAAHN COc1ccc(CN(C)[C@@H]2C[C@@H]2c2ccccc2)c(OC)c1 ZINC000225542386 567953979 /nfs/dbraw/zinc/95/39/79/567953979.db2.gz KIQHISXRKJPWKZ-QZTJIDSGSA-N 0 3 297.398 3.692 50 0 CHAAHN CCc1cc(OCCNCc2ccco2)ccc1Cl ZINC000003001941 570278622 /nfs/dbraw/zinc/27/86/22/570278622.db2.gz SYQDOWSLYHCIAT-UHFFFAOYSA-N 0 3 279.767 3.664 50 0 CHAAHN COC[C@@H]1CCCN1Cc1ccc(OC2CCCC2)cc1 ZINC000215418035 570302791 /nfs/dbraw/zinc/30/27/91/570302791.db2.gz QQPRKZLFYIFJBB-INIZCTEOSA-N 0 3 289.419 3.619 50 0 CHAAHN COc1ccc(CN(C)CC[C@H]2CCCCO2)cc1Cl ZINC000215457166 570303337 /nfs/dbraw/zinc/30/33/37/570303337.db2.gz NGASUFCSKDZLKY-CQSZACIVSA-N 0 3 297.826 3.740 50 0 CHAAHN CC(=O)Nc1ccc(CN[C@H]2CCCc3ccccc32)cc1 ZINC000023989555 570311406 /nfs/dbraw/zinc/31/14/06/570311406.db2.gz PSUDWYTXGTXFKN-IBGZPJMESA-N 0 3 294.398 3.812 50 0 CHAAHN c1cnc2sc(CN3CCC[C@H]3C3CCCC3)nc2c1 ZINC000089807769 570368891 /nfs/dbraw/zinc/36/88/91/570368891.db2.gz IUJIWSLYCNAMTN-AWEZNQCLSA-N 0 3 287.432 3.846 50 0 CHAAHN C[C@@H](N[C@@H]1CCCCc2ccccc21)c1cnn(C)c1 ZINC000095421532 570371696 /nfs/dbraw/zinc/37/16/96/570371696.db2.gz JCRHAKYNJRCVAR-CXAGYDPISA-N 0 3 269.392 3.538 50 0 CHAAHN C[C@H](N[C@@H]1CCCCc2ccccc21)c1cnn(C)c1 ZINC000095421531 570371895 /nfs/dbraw/zinc/37/18/95/570371895.db2.gz JCRHAKYNJRCVAR-SUMWQHHRSA-N 0 3 269.392 3.538 50 0 CHAAHN CCCO[C@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000952982039 614951768 /nfs/dbraw/zinc/95/17/68/614951768.db2.gz VBWCNSPLRPTUNH-HNNXBMFYSA-N 0 3 273.376 3.824 50 0 CHAAHN Cc1ccsc1CN(C)CCOCc1ccccc1 ZINC000539908441 1127953432 /nfs/dbraw/zinc/95/34/32/1127953432.db2.gz XSNNNJFJCHNHBL-UHFFFAOYSA-N 0 3 275.417 3.705 50 0 CHAAHN O[C@H](CN1CC=C(Cc2ccccc2)CC1)c1ccccc1 ZINC000002491007 1118570305 /nfs/dbraw/zinc/57/03/05/1118570305.db2.gz CCDMAYQKTKHVBW-HXUWFJFHSA-N 0 3 293.410 3.595 50 0 CHAAHN Cc1ccc(CN2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000023279881 1119767708 /nfs/dbraw/zinc/76/77/08/1119767708.db2.gz GIPVEBUOOHPOIU-UHFFFAOYSA-N 0 3 280.415 3.626 50 0 CHAAHN CC(C)Oc1ccc([C@H](C)NCc2cccc(CO)c2)cc1 ZINC000095967746 185046772 /nfs/dbraw/zinc/04/67/72/185046772.db2.gz ANNWNAUGPYXHRA-HNNXBMFYSA-N 0 3 299.414 3.817 50 0 CHAAHN CCOCCN[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000096979502 185145191 /nfs/dbraw/zinc/14/51/91/185145191.db2.gz OAAONTXSSSHNPW-SFHVURJKSA-N 0 3 269.388 3.711 50 0 CHAAHN C[C@@H](c1cccs1)N(C)Cc1cccc2c1NCC2 ZINC000097020272 185152891 /nfs/dbraw/zinc/15/28/91/185152891.db2.gz YJUUBJXGIXOEJG-LBPRGKRZSA-N 0 3 272.417 3.909 50 0 CHAAHN C[C@@H](NCCc1nnc(-c2ccccc2)o1)c1cccs1 ZINC000090659786 180018632 /nfs/dbraw/zinc/01/86/32/180018632.db2.gz XWOHDSHRTXEVPC-GFCCVEGCSA-N 0 3 299.399 3.691 50 0 CHAAHN Cc1ccc([C@@H](C)NC[C@H](C)c2c(C)noc2C)o1 ZINC000090727905 180033143 /nfs/dbraw/zinc/03/31/43/180033143.db2.gz QOPZJJRSBOSIGO-GXSJLCMTSA-N 0 3 262.353 3.647 50 0 CHAAHN C[C@H](C(=O)Nc1cccc(Cl)c1)N1C[C@H](C)C[C@@H](C)C1 ZINC000108929055 186237238 /nfs/dbraw/zinc/23/72/38/186237238.db2.gz MXNXUGZLEBGSEG-JHJVBQTASA-N 0 3 294.826 3.645 50 0 CHAAHN C[C@@H](NCc1ccc(Oc2ccccc2)o1)[C@H]1CCOC1 ZINC000096500133 533449106 /nfs/dbraw/zinc/44/91/06/533449106.db2.gz UJIQJUPLJAYXKB-KGLIPLIRSA-N 0 3 287.359 3.587 50 0 CHAAHN c1ccc(COc2cccc(CNC[C@@H]3CCCO3)c2)cc1 ZINC000004700844 170001422 /nfs/dbraw/zinc/00/14/22/170001422.db2.gz IOAMRPKRUAPWOJ-IBGZPJMESA-N 0 3 297.398 3.534 50 0 CHAAHN CNCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000004843313 170028898 /nfs/dbraw/zinc/02/88/98/170028898.db2.gz NRIZEVXLODJVFT-UHFFFAOYSA-N 0 3 291.778 3.647 50 0 CHAAHN CCOc1cc(CN2CCCC[C@@H]2CC)ccc1OC ZINC000004988187 170049296 /nfs/dbraw/zinc/04/92/96/170049296.db2.gz WBTWIXVQCKNXGD-HNNXBMFYSA-N 0 3 277.408 3.858 50 0 CHAAHN COc1cc2c(cc1OC)CN([C@H]1CCC[C@@H](C)C1)CC2 ZINC000004989356 170050088 /nfs/dbraw/zinc/05/00/88/170050088.db2.gz ZQIOKZDDGDLJOJ-CJNGLKHVSA-N 0 3 289.419 3.641 50 0 CHAAHN COc1cc2c(cc1OC)CN([C@H]1CCC[C@H](C)C1)CC2 ZINC000004989357 170050260 /nfs/dbraw/zinc/05/02/60/170050260.db2.gz ZQIOKZDDGDLJOJ-BBRMVZONSA-N 0 3 289.419 3.641 50 0 CHAAHN CC(C)(C)C(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000004990910 170050905 /nfs/dbraw/zinc/05/09/05/170050905.db2.gz KIGKYGFQKMRWDB-UHFFFAOYSA-N 0 3 274.408 3.657 50 0 CHAAHN CCNCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000006326213 170191541 /nfs/dbraw/zinc/19/15/41/170191541.db2.gz FSZQAJRUAFRNHN-UHFFFAOYSA-N 0 3 289.350 3.523 50 0 CHAAHN Fc1ccc(-c2ccc(CNC3CC3)o2)cc1Cl ZINC000007539873 170290352 /nfs/dbraw/zinc/29/03/52/170290352.db2.gz URBTXDMSQVBHOK-UHFFFAOYSA-N 0 3 265.715 3.991 50 0 CHAAHN CN1CCC2(CC1)O[C@H]1CCCC[C@@H]1c1sccc12 ZINC000008782739 170355933 /nfs/dbraw/zinc/35/59/33/170355933.db2.gz JVVJQXXUHSTANP-JSGCOSHPSA-N 0 3 277.433 3.725 50 0 CHAAHN CC(C)c1ccc(CNC[C@H](O)c2ccccc2)cc1 ZINC000020028142 170973373 /nfs/dbraw/zinc/97/33/73/170973373.db2.gz ABAYPBNJVATNDZ-SFHVURJKSA-N 0 3 269.388 3.633 50 0 CHAAHN N[C@H](c1ccc(Cl)cc1)[C@H](N)c1ccc(Cl)cc1 ZINC000021303921 171301560 /nfs/dbraw/zinc/30/15/60/171301560.db2.gz HHPPUZSHKRJDIW-ZIAGYGMSSA-N 0 3 281.186 3.693 50 0 CHAAHN Cc1noc(C)c1[C@H]1CCCN1Cc1cccc(C)c1 ZINC000021720181 171320615 /nfs/dbraw/zinc/32/06/15/171320615.db2.gz GCNNZQAHSQUNTB-MRXNPFEDSA-N 0 3 270.376 3.937 50 0 CHAAHN COc1ccc(CN[C@H](C)c2cc(C)sc2C)cc1O ZINC000035252889 172082826 /nfs/dbraw/zinc/08/28/26/172082826.db2.gz KQEBAOWATCLIPU-LLVKDONJSA-N 0 3 291.416 3.930 50 0 CHAAHN CC[C@@H](COC)N[C@@H](C)c1ccc(Br)s1 ZINC000070657883 175999548 /nfs/dbraw/zinc/99/95/48/175999548.db2.gz QRMYKNDQERPTPB-IUCAKERBSA-N 0 3 292.242 3.586 50 0 CHAAHN Cc1ncsc1CCN(C)Cc1cc2ccccc2n1C ZINC000072423881 176401490 /nfs/dbraw/zinc/40/14/90/176401490.db2.gz SKAFIPKIRMUQSS-UHFFFAOYSA-N 0 3 299.443 3.618 50 0 CHAAHN COc1ccc(CN[C@H]2C[C@H](C)c3ccccc32)cc1O ZINC000078553784 177353989 /nfs/dbraw/zinc/35/39/89/177353989.db2.gz YVFRZIVDPQVFBE-LRDDRELGSA-N 0 3 283.371 3.739 50 0 CHAAHN Cc1nc[nH]c1CN1CCC[C@H](CCc2ccccc2C)C1 ZINC000012316636 527211665 /nfs/dbraw/zinc/21/16/65/527211665.db2.gz NNVMXJYTVORANY-QGZVFWFLSA-N 0 3 297.446 3.871 50 0 CHAAHN CC[C@@H](C)N1CCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000004893738 529350210 /nfs/dbraw/zinc/35/02/10/529350210.db2.gz SFUWCNMJJPKLAD-HZPDHXFCSA-N 0 3 288.435 3.813 50 0 CHAAHN C[C@H](NC1(CO)CCC1)c1ccc(SC(F)F)cc1 ZINC000182428862 566840256 /nfs/dbraw/zinc/84/02/56/566840256.db2.gz YWFGQAINVWPKHP-JTQLQIEISA-N 0 3 287.375 3.567 50 0 CHAAHN CC[C@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000058790618 566844858 /nfs/dbraw/zinc/84/48/58/566844858.db2.gz ZRATXKPGBYTWGC-LBPRGKRZSA-N 0 3 260.406 3.918 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CN[C@H](C)CCCO)o1 ZINC000088762895 566935895 /nfs/dbraw/zinc/93/58/95/566935895.db2.gz NELXIZGKGOGABA-GFCCVEGCSA-N 0 3 291.366 3.645 50 0 CHAAHN CC[C@@H]1[C@H](O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000239173673 567007535 /nfs/dbraw/zinc/00/75/35/567007535.db2.gz OKNRTYWYWMOJGO-HCXYKTFWSA-N 0 3 281.399 3.849 50 0 CHAAHN CC1=C(C[C@H]2NCCc3nc[nH]c32)C(C)(C)CCC1 ZINC000065432233 567007631 /nfs/dbraw/zinc/00/76/31/567007631.db2.gz QAXWIIAKIHFMSV-CQSZACIVSA-N 0 3 259.397 3.513 50 0 CHAAHN CCN(CC)Cc1c(-c2ccccc2)nc2sccn12 ZINC000004565787 567019441 /nfs/dbraw/zinc/01/94/41/567019441.db2.gz QAMWLRZMOWYVDF-UHFFFAOYSA-N 0 3 285.416 3.905 50 0 CHAAHN COc1cccc(CNCc2ccc3ncccc3c2)c1 ZINC000037486651 567066763 /nfs/dbraw/zinc/06/67/63/567066763.db2.gz MXOLARFNIKIGMK-UHFFFAOYSA-N 0 3 278.355 3.533 50 0 CHAAHN C[C@@H](NCc1ccnc(OCC2CC2)c1)c1cccs1 ZINC000095422229 567131020 /nfs/dbraw/zinc/13/10/20/567131020.db2.gz VIWFZMRNWQGUKM-GFCCVEGCSA-N 0 3 288.416 3.783 50 0 CHAAHN C[C@H]1CCCN(Cc2cc(N3CCC[C@H](C)C3)ccn2)C1 ZINC000095446880 567134735 /nfs/dbraw/zinc/13/47/35/567134735.db2.gz ZTKMJXOZSKARBH-HOTGVXAUSA-N 0 3 287.451 3.550 50 0 CHAAHN Cc1nc2ccccc2c(N2CCC[C@@H](O)C2)c1C(C)C ZINC000096006346 567136851 /nfs/dbraw/zinc/13/68/51/567136851.db2.gz CZEGFLZZHLTUKH-CQSZACIVSA-N 0 3 284.403 3.628 50 0 CHAAHN COCC[C@H]1CCCN(Cc2sccc2Cl)C1 ZINC000670434625 567164646 /nfs/dbraw/zinc/16/46/46/567164646.db2.gz JCWDPXZLXWWMBW-LLVKDONJSA-N 0 3 273.829 3.650 50 0 CHAAHN CN(CC[C@@H]1CC1(F)F)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000670436109 567166944 /nfs/dbraw/zinc/16/69/44/567166944.db2.gz OSDKUEFAUYVOBJ-SECBINFHSA-N 0 3 299.752 3.693 50 0 CHAAHN O=C(CNC1CC1)Nc1ccccc1Sc1ccccc1 ZINC000003310784 567168716 /nfs/dbraw/zinc/16/87/16/567168716.db2.gz PAPFSAKQYMLEIQ-UHFFFAOYSA-N 0 3 298.411 3.528 50 0 CHAAHN CC[C@@H]1[C@H](O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000004119588 567187727 /nfs/dbraw/zinc/18/77/27/567187727.db2.gz OKNRTYWYWMOJGO-NCXUSEDFSA-N 0 3 281.399 3.849 50 0 CHAAHN Cc1ccc2nc(C)cc(NCc3cccnc3)c2c1 ZINC000000120791 567818612 /nfs/dbraw/zinc/81/86/12/567818612.db2.gz PLBJONGVKSDDOL-UHFFFAOYSA-N 0 3 263.344 3.859 50 0 CHAAHN O=C(CCN1CC[C@H](c2ccccc2)C1)c1cccs1 ZINC000000177670 567821653 /nfs/dbraw/zinc/82/16/53/567821653.db2.gz PNZHYJLPSXGIOW-HNNXBMFYSA-N 0 3 285.412 3.810 50 0 aggregator CHAAHN Cc1cccc([C@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000000182738 567821760 /nfs/dbraw/zinc/82/17/60/567821760.db2.gz JAWJYPSOUVXIGQ-QGZVFWFLSA-N 0 3 262.356 3.711 50 0 CHAAHN CC(C)c1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 ZINC000000213041 567822501 /nfs/dbraw/zinc/82/25/01/567822501.db2.gz LOTKUUXABDKAIX-HNNXBMFYSA-N 0 3 254.377 3.745 50 0 CHAAHN CN(C)CCC(=O)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000004128115 567855286 /nfs/dbraw/zinc/85/52/86/567855286.db2.gz CKBPBVOQBKBRML-SFHVURJKSA-N 0 3 281.399 3.534 50 0 CHAAHN [NH3+]Cc1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000012370271 567862656 /nfs/dbraw/zinc/86/26/56/567862656.db2.gz LPMITTCQAVWCLV-UHFFFAOYSA-N 0 3 266.369 3.936 50 0 CHAAHN NCc1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000012370271 567862657 /nfs/dbraw/zinc/86/26/57/567862657.db2.gz LPMITTCQAVWCLV-UHFFFAOYSA-N 0 3 266.369 3.936 50 0 CHAAHN CC(C)CN(CC(=O)Nc1cccc(Cl)c1)C(C)C ZINC000032810008 567868928 /nfs/dbraw/zinc/86/89/28/567868928.db2.gz BZSQQNMBIITYRE-UHFFFAOYSA-N 0 3 282.815 3.645 50 0 CHAAHN Cc1ccc(CN2CCN(Cc3ccccc3C)CC2)cc1 ZINC000019841197 567879015 /nfs/dbraw/zinc/87/90/15/567879015.db2.gz QWVYDCPDWWAHDV-UHFFFAOYSA-N 0 3 294.442 3.621 50 0 CHAAHN CCCCCNCc1ccccc1Br ZINC000019901538 567879832 /nfs/dbraw/zinc/87/98/32/567879832.db2.gz PPNAFAWOJRKMQQ-UHFFFAOYSA-N 0 3 256.187 3.729 50 0 CHAAHN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)N ZINC000040994047 567890794 /nfs/dbraw/zinc/89/07/94/567890794.db2.gz DKIXVPMMJGAICQ-SSDOTTSWSA-N 0 3 297.221 3.901 50 0 CHAAHN FC(F)(F)c1ccccc1CNCc1ccccc1 ZINC000057364353 567895114 /nfs/dbraw/zinc/89/51/14/567895114.db2.gz GPRZDEKYRQQDHZ-UHFFFAOYSA-N 0 3 265.278 3.995 50 0 CHAAHN Cc1noc(C)c1CN[C@@H](C)CCc1c[nH]c2ccccc12 ZINC000067774369 567900564 /nfs/dbraw/zinc/90/05/64/567900564.db2.gz NLFVOIYUAXCMMZ-LBPRGKRZSA-N 0 3 297.402 3.884 50 0 CHAAHN Cc1cccc([C@H](Cn2ccnc2-c2ccco2)N(C)C)c1 ZINC000072479270 567902853 /nfs/dbraw/zinc/90/28/53/567902853.db2.gz GPTXVQCOTNBIJB-INIZCTEOSA-N 0 3 295.386 3.754 50 0 CHAAHN CN(C)Cc1ccccc1Oc1nccc2occc21 ZINC000067605024 567902956 /nfs/dbraw/zinc/90/29/56/567902956.db2.gz VHOGGQHLHKKVLJ-UHFFFAOYSA-N 0 3 268.316 3.682 50 0 CHAAHN Oc1ccc2c(c1)CN([C@@H]1CCCc3ccccc31)CC2 ZINC000072291835 567909235 /nfs/dbraw/zinc/90/92/35/567909235.db2.gz IVXQLEQJYREYDX-LJQANCHMSA-N 0 3 279.383 3.828 50 0 CHAAHN CN(Cc1ccc2cc(O)ccc2c1)C[C@H]1CCCCO1 ZINC000097463649 567910511 /nfs/dbraw/zinc/91/05/11/567910511.db2.gz NAXKMAZDUFRXPU-GOSISDBHSA-N 0 3 285.387 3.546 50 0 CHAAHN CSc1ccc(CN2CCC3(CCOCC3)CC2)cc1 ZINC000097636611 567911040 /nfs/dbraw/zinc/91/10/40/567911040.db2.gz HTNNQYHHXSQXKZ-UHFFFAOYSA-N 0 3 291.460 3.801 50 0 CHAAHN CCC(C)(C)OCc1ccccc1NC1CCN(C)CC1 ZINC000408514027 567927684 /nfs/dbraw/zinc/92/76/84/567927684.db2.gz AUHFKAZVWIPWEP-UHFFFAOYSA-N 0 3 290.451 3.898 50 0 CHAAHN CSc1ccc(CN[C@H]2COc3ccccc3C2)cc1 ZINC000015066861 567943839 /nfs/dbraw/zinc/94/38/39/567943839.db2.gz KWYSAFRBEQKSAG-OAHLLOKOSA-N 0 3 285.412 3.502 50 0 CHAAHN CC(C)C[C@H](CN(C)C)NCc1cnc(C(C)(C)C)s1 ZINC000062838959 567944245 /nfs/dbraw/zinc/94/42/45/567944245.db2.gz JYCSABBOWQBSAU-CYBMUJFWSA-N 0 3 297.512 3.507 50 0 CHAAHN Cc1ccc(CN[C@H]2CCOc3ccccc32)cc1 ZINC000019962722 567945046 /nfs/dbraw/zinc/94/50/46/567945046.db2.gz BWQIDBABVNNJGX-INIZCTEOSA-N 0 3 253.345 3.608 50 0 CHAAHN CCN(C/C=C/c1ccc(F)cc1)C[C@@H]1CCCCO1 ZINC000214973533 567947122 /nfs/dbraw/zinc/94/71/22/567947122.db2.gz RERULZSSIZXLMV-RTRPANQVSA-N 0 3 277.383 3.730 50 0 CHAAHN CCc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)nc1 ZINC000216435706 567947667 /nfs/dbraw/zinc/94/76/67/567947667.db2.gz NAEWZTQYELOOSV-INIZCTEOSA-N 0 3 284.378 3.773 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CNC[C@H](C)CCO)o1 ZINC000225421831 567953453 /nfs/dbraw/zinc/95/34/53/567953453.db2.gz LCIBTFWQKWYDTG-GFCCVEGCSA-N 0 3 291.366 3.502 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CN[C@H](CO)C(C)C)o1 ZINC000225456245 567953611 /nfs/dbraw/zinc/95/36/11/567953611.db2.gz WMCCEVSRYIELNC-MRXNPFEDSA-N 0 3 291.366 3.501 50 0 CHAAHN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N ZINC000011568417 570219697 /nfs/dbraw/zinc/21/96/97/570219697.db2.gz YGYIXXSODUCIOB-SSDOTTSWSA-N 0 3 252.770 3.792 50 0 CHAAHN CCn1cc(CN(C/C=C/c2ccco2)CC(C)C)cn1 ZINC000055036789 570240509 /nfs/dbraw/zinc/24/05/09/570240509.db2.gz HEFJYZSMKDMWMJ-FNORWQNLSA-N 0 3 287.407 3.667 50 0 CHAAHN CC[C@@H](C)N(Cc1c[nH]c(C)n1)Cc1ccc(C)cc1 ZINC000055099134 570240521 /nfs/dbraw/zinc/24/05/21/570240521.db2.gz MOPYQLMODYTHTA-CQSZACIVSA-N 0 3 271.408 3.827 50 0 CHAAHN CC[C@@H](C)N(Cc1cnc(C)[nH]1)Cc1ccc(C)cc1 ZINC000055099134 570240523 /nfs/dbraw/zinc/24/05/23/570240523.db2.gz MOPYQLMODYTHTA-CQSZACIVSA-N 0 3 271.408 3.827 50 0 CHAAHN Cc1ccccc1-n1cc(C2=CCN(CCCF)CC2)cn1 ZINC000065530834 570244327 /nfs/dbraw/zinc/24/43/27/570244327.db2.gz CWUWOBGAXRFWPY-UHFFFAOYSA-N 0 3 299.393 3.629 50 0 CHAAHN CC[C@@H](COC)N[C@H](C)c1ccc(Br)s1 ZINC000070657885 570248801 /nfs/dbraw/zinc/24/88/01/570248801.db2.gz QRMYKNDQERPTPB-BDAKNGLRSA-N 0 3 292.242 3.586 50 0 CHAAHN C[C@@H](c1ccco1)N(C)Cc1ccccc1-n1cccn1 ZINC000131027674 570269868 /nfs/dbraw/zinc/26/98/68/570269868.db2.gz PQZUINMNXJLKLR-AWEZNQCLSA-N 0 3 281.359 3.658 50 0 CHAAHN Cc1cc(C(C)(C)C)cc(C)c1CSC1=NCCN1 ZINC000014201556 570287133 /nfs/dbraw/zinc/28/71/33/570287133.db2.gz CFPNHLBURXBVCG-UHFFFAOYSA-N 0 3 276.449 3.793 50 0 CHAAHN COC[C@H]1CCN(Cc2[nH]c3ccc(Cl)cc3c2C)C1 ZINC000215423791 570302749 /nfs/dbraw/zinc/30/27/49/570302749.db2.gz INGUVOILEFOGRI-LBPRGKRZSA-N 0 3 292.810 3.598 50 0 CHAAHN CN(Cc1ccc([C@H]2CCCO2)s1)C1CCSCC1 ZINC000215847024 570304094 /nfs/dbraw/zinc/30/40/94/570304094.db2.gz STQCKRVYCAXNHJ-CQSZACIVSA-N 0 3 297.489 3.927 50 0 CHAAHN CN(Cc1cc(Cl)ccc1F)[C@@H]1CCOC(C)(C)C1 ZINC000215817054 570304239 /nfs/dbraw/zinc/30/42/39/570304239.db2.gz PRNBXJNZIICLAH-CYBMUJFWSA-N 0 3 285.790 3.869 50 0 CHAAHN Cc1ccc(CNCc2c[nH]nc2-c2cccs2)cc1 ZINC000012547209 570327781 /nfs/dbraw/zinc/32/77/81/570327781.db2.gz GDUXMQXBXYNGLS-UHFFFAOYSA-N 0 3 283.400 3.736 50 0 CHAAHN COc1cccc(-c2oncc2CN2CCC[C@H](C)C2)c1 ZINC000065288912 570361936 /nfs/dbraw/zinc/36/19/36/570361936.db2.gz PAOVLOBRBATQGV-ZDUSSCGKSA-N 0 3 286.375 3.582 50 0 CHAAHN Cc1cnc([C@H](N[C@H](C)CC2CC2)C2CC2)s1 ZINC000089702394 570368141 /nfs/dbraw/zinc/36/81/41/570368141.db2.gz ZIJNHJWXOBVNAI-NOZJJQNGSA-N 0 3 250.411 3.681 50 0 CHAAHN CN(CCNc1nc2ccccc2o1)Cc1ccc(F)cc1 ZINC000170652390 570375727 /nfs/dbraw/zinc/37/57/27/570375727.db2.gz WJCHCPAJEVXYEK-UHFFFAOYSA-N 0 3 299.349 3.511 50 0 CHAAHN C[C@@H](NCCc1c(Cl)cccc1Cl)c1cc[nH]n1 ZINC000253415944 570385304 /nfs/dbraw/zinc/38/53/04/570385304.db2.gz OBWSIRBKSYTXCR-SECBINFHSA-N 0 3 284.190 3.610 50 0 CHAAHN C[C@H](C(=O)Nc1ccccc1)N1CC[C@H](c2ccccc2)C1 ZINC000069737534 570402203 /nfs/dbraw/zinc/40/22/03/570402203.db2.gz HULAMQHRSAXYQB-WBVHZDCISA-N 0 3 294.398 3.503 50 0 CHAAHN Cc1ccoc1C(=O)Nc1ccccc1CN1CCCCC1 ZINC000885939074 1126898767 /nfs/dbraw/zinc/89/87/67/1126898767.db2.gz QMIIIDYZQUSZRD-UHFFFAOYSA-N 0 3 298.386 3.826 50 0 CHAAHN CCCc1nc(CN[C@@H](CCO)C2CCCCC2)cs1 ZINC000183704707 1120345429 /nfs/dbraw/zinc/34/54/29/1120345429.db2.gz PKCBVFPZTRYYDO-HNNXBMFYSA-N 0 3 296.480 3.517 50 0 CHAAHN Cc1nc(CCN2CCCC[C@@H]2c2ccccn2)cs1 ZINC000244594262 1121469447 /nfs/dbraw/zinc/46/94/47/1121469447.db2.gz DJKYABVHSLNYFF-MRXNPFEDSA-N 0 3 287.432 3.616 50 0 CHAAHN CO[C@H]1CCCN(Cc2ccc(-c3ccc(C)cc3)o2)C1 ZINC000509125891 1121590840 /nfs/dbraw/zinc/59/08/40/1121590840.db2.gz SKIWLYLHXITVHW-INIZCTEOSA-N 0 3 285.387 3.866 50 0 CHAAHN CC[C@H](c1cccc(OC)c1)N(C)Cc1cccn1C ZINC000585084700 1131275584 /nfs/dbraw/zinc/27/55/84/1131275584.db2.gz VKNGCMNYLIMRHY-QGZVFWFLSA-N 0 3 272.392 3.617 50 0 CHAAHN CC[C@@H](c1cccc(OC)c1)N(C)Cc1cccn1C ZINC000585084699 1131276108 /nfs/dbraw/zinc/27/61/08/1131276108.db2.gz VKNGCMNYLIMRHY-KRWDZBQOSA-N 0 3 272.392 3.617 50 0 CHAAHN CCc1ccc(CN(CC)Cc2cccnc2)cc1 ZINC000055131952 1130266257 /nfs/dbraw/zinc/26/62/57/1130266257.db2.gz YKJKVUONZRTOSC-UHFFFAOYSA-N 0 3 254.377 3.666 50 0 CHAAHN O=C(Nc1ccccc1CN1CCCC1)c1ccsc1 ZINC000041971051 1131653385 /nfs/dbraw/zinc/65/33/85/1131653385.db2.gz MEQWYOFDCDSBBY-UHFFFAOYSA-N 0 3 286.400 3.596 50 0 CHAAHN Cc1nc([C@@H](C)NCC(=CCC(C)C)c2ccccc2)n[nH]1 ZINC000952868404 1132014892 /nfs/dbraw/zinc/01/48/92/1132014892.db2.gz NFGYVMDAKFHRRA-SWEABUAFSA-N 0 3 298.434 3.893 50 0 CHAAHN CC1(CN[C@@H](c2ccco2)c2ccccc2)CCOCC1 ZINC000230396160 1132490965 /nfs/dbraw/zinc/49/09/65/1132490965.db2.gz IXCLNJZQFPRADU-QGZVFWFLSA-N 0 3 285.387 3.775 50 0 CHAAHN Cc1ccccc1[C@H](N[C@@H](C)c1cnn(C)c1)C1CC1 ZINC000095967939 185046346 /nfs/dbraw/zinc/04/63/46/185046346.db2.gz BMLPANRPPYCKIC-SUMWQHHRSA-N 0 3 269.392 3.530 50 0 CHAAHN C[C@@H](NCc1ccc(Oc2ccccc2)o1)[C@@H]1CCOC1 ZINC000096500131 533448408 /nfs/dbraw/zinc/44/84/08/533448408.db2.gz UJIQJUPLJAYXKB-ZIAGYGMSSA-N 0 3 287.359 3.587 50 0 CHAAHN O[C@H]1CCCN(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000004985766 170048931 /nfs/dbraw/zinc/04/89/31/170048931.db2.gz BVMWOQVHTUDLJW-LBPRGKRZSA-N 0 3 291.778 3.557 50 0 CHAAHN CNCc1ccccc1Sc1cccc(OC)c1 ZINC000005353661 170089121 /nfs/dbraw/zinc/08/91/21/170089121.db2.gz OIWKOIAIXYFZHR-UHFFFAOYSA-N 0 3 259.374 3.566 50 0 CHAAHN Cc1ccc(-c2n[nH]cc2CNCc2ccccc2)cc1 ZINC000006565384 170213664 /nfs/dbraw/zinc/21/36/64/170213664.db2.gz YCDGSQZJXKAGRF-UHFFFAOYSA-N 0 3 277.371 3.675 50 0 CHAAHN C[C@H](NC(CC(F)(F)F)=Nc1cccnc1)C(C)(C)C ZINC000006713940 170231418 /nfs/dbraw/zinc/23/14/18/170231418.db2.gz ZAKRVLZORBUQLP-UVIKPUKZSA-N 0 3 287.329 3.921 50 0 CHAAHN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCCCCC1 ZINC000006882320 170252206 /nfs/dbraw/zinc/25/22/06/170252206.db2.gz JLIFWPGIJMURQD-LBPRGKRZSA-N 0 3 280.799 3.543 50 0 CHAAHN CCCCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007261714 170274028 /nfs/dbraw/zinc/27/40/28/170274028.db2.gz ZPHNQYIUKSAZLO-CYBMUJFWSA-N 0 3 273.376 3.890 50 0 CHAAHN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C[C@H](C)C[C@H](C)C1 ZINC000007386116 170282160 /nfs/dbraw/zinc/28/21/60/170282160.db2.gz SGGPQDFATTWKIN-XQQFMLRXSA-N 0 3 294.826 3.645 50 0 CHAAHN Cc1cccc(C)c1NC(=O)CN(C)CC1CCCCC1 ZINC000007682827 170297004 /nfs/dbraw/zinc/29/70/04/170297004.db2.gz YWQVJPSSSXXXRQ-UHFFFAOYSA-N 0 3 288.435 3.754 50 0 CHAAHN Cc1ccc2[nH]c(-c3ccccc3)c(CN(C)C)c(=O)c2c1 ZINC000008578510 170341486 /nfs/dbraw/zinc/34/14/86/170341486.db2.gz FLLVYBGQWIZTMD-UHFFFAOYSA-N 0 3 292.382 3.977 50 0 CHAAHN Cc1cc(Cl)cc2c(=O)c(CN3CCCC3)c(C)[nH]c12 ZINC000008717233 170349370 /nfs/dbraw/zinc/34/93/70/170349370.db2.gz MMHREYPVJLXPPW-UHFFFAOYSA-N 0 3 290.794 3.806 50 0 CHAAHN CC(C)=CCC[C@H](C)C[C@H]1OC[C@@H](CN2CCCCC2)O1 ZINC000020130679 171019434 /nfs/dbraw/zinc/01/94/34/171019434.db2.gz BABQJPAGASLVKB-KSZLIROESA-N 0 3 295.467 3.986 50 0 CHAAHN CCOc1ccc(CNCc2cccc(C)c2)cc1 ZINC000020133862 171021661 /nfs/dbraw/zinc/02/16/61/171021661.db2.gz GXIKMDDFXUNRNQ-UHFFFAOYSA-N 0 3 255.361 3.684 50 0 CHAAHN CC(C)[C@@H](C)NCc1cc(Br)ccc1F ZINC000020305434 171141481 /nfs/dbraw/zinc/14/14/81/171141481.db2.gz KENRIABLUJZXKH-SECBINFHSA-N 0 3 274.177 3.722 50 0 CHAAHN Cc1noc(C)c1[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC000021720646 171320548 /nfs/dbraw/zinc/32/05/48/171320548.db2.gz IGQPYTVZFWTEFK-INIZCTEOSA-N 0 3 270.376 3.937 50 0 CHAAHN C[C@H](Cc1ccco1)NCc1cc2ccccc2o1 ZINC000035254711 172084109 /nfs/dbraw/zinc/08/41/09/172084109.db2.gz VFWJSVVAJLCPIL-GFCCVEGCSA-N 0 3 255.317 3.747 50 0 CHAAHN CNCc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC000037237800 173055376 /nfs/dbraw/zinc/05/53/76/173055376.db2.gz TZKZUVMYVKQZFO-UHFFFAOYSA-N 0 3 265.715 3.991 50 0 CHAAHN C[C@@H](NCC[C@H]1CCCO1)c1ccccc1Cl ZINC000038095407 174108522 /nfs/dbraw/zinc/10/85/22/174108522.db2.gz SDMYIDDJBLPLIS-VXGBXAGGSA-N 0 3 253.773 3.560 50 0 CHAAHN CC(C)C[C@H](NC1CSCCSC1)c1cccnc1 ZINC000067955851 175803962 /nfs/dbraw/zinc/80/39/62/175803962.db2.gz BERAAPHPPWCDNF-HNNXBMFYSA-N 0 3 296.505 3.607 50 0 CHAAHN CSc1cccc([C@@H](N)c2ccc(F)c(F)c2)c1 ZINC000071790396 176263139 /nfs/dbraw/zinc/26/31/39/176263139.db2.gz LVQVJODXVMBRLF-CQSZACIVSA-N 0 3 265.328 3.735 50 0 CHAAHN C[C@H](NCc1cnc2ccccn12)c1cccc(Cl)c1 ZINC000072272613 176354792 /nfs/dbraw/zinc/35/47/92/176354792.db2.gz BRDFJVXAMZNQBB-LBPRGKRZSA-N 0 3 285.778 3.839 50 0 CHAAHN Cc1[nH]c2c(cc(C)cc2CNCc2ccncc2)c1C ZINC000072274488 176356114 /nfs/dbraw/zinc/35/61/14/176356114.db2.gz GXJBHFJGAZOVBX-UHFFFAOYSA-N 0 3 279.387 3.778 50 0 CHAAHN COc1cccc(CN(C)[C@H](C)c2cccc(OC)c2)c1 ZINC000072277123 176356653 /nfs/dbraw/zinc/35/66/53/176356653.db2.gz TZNZQFRVGHTXTG-CQSZACIVSA-N 0 3 285.387 3.897 50 0 CHAAHN CC[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccncc1 ZINC000096478356 529207797 /nfs/dbraw/zinc/20/77/97/529207797.db2.gz SUYUUTMRVMSOHG-SJORKVTESA-N 0 3 270.351 3.949 50 0 CHAAHN C[C@@H](c1cccnc1)N(C)Cc1cccc2[nH]ccc21 ZINC000183730937 566842671 /nfs/dbraw/zinc/84/26/71/566842671.db2.gz HUXVSBNYTDQPCP-ZDUSSCGKSA-N 0 3 265.360 3.756 50 0 CHAAHN CN(C)Cc1c(N)nc2ccccc2c1-c1ccccc1 ZINC000006177219 566925901 /nfs/dbraw/zinc/92/59/01/566925901.db2.gz YSHZFSPSTZALAT-UHFFFAOYSA-N 0 3 277.371 3.546 50 0 CHAAHN C[C@H]1[C@H](O)[C@H](C)[C@@H](c2cccs2)N[C@H]1c1cccs1 ZINC000239562565 566966785 /nfs/dbraw/zinc/96/67/85/566966785.db2.gz CPNYMZKNSCYTRC-PSDLAXTLSA-N 0 3 293.457 3.828 50 0 CHAAHN CCCCN1CCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002019932 566977445 /nfs/dbraw/zinc/97/74/45/566977445.db2.gz VEPZOLKTNZOTTQ-MRXNPFEDSA-N 0 3 288.435 3.815 50 0 in-man CHAAHN CC[C@@H](C)N(Cc1ccsc1)C[C@@H](O)COC(C)(C)C ZINC000169677989 566996639 /nfs/dbraw/zinc/99/66/39/566996639.db2.gz YOFBTXGSANEOPO-UKRRQHHQSA-N 0 3 299.480 3.525 50 0 CHAAHN Cc1nc2ccccc2n1CCN1CCC[C@H]1c1ccc[nH]1 ZINC000170592512 567011374 /nfs/dbraw/zinc/01/13/74/567011374.db2.gz IZIBNMDOTVZFQT-KRWDZBQOSA-N 0 3 294.402 3.510 50 0 CHAAHN C[C@@H](NCc1ccnc(N)c1)c1ccc2ccccc2c1 ZINC000193472620 567060908 /nfs/dbraw/zinc/06/09/08/567060908.db2.gz WKWLLNQHKCRZKL-CYBMUJFWSA-N 0 3 277.371 3.668 50 0 CHAAHN COc1ccc(CN(C)[C@H]2C[C@H]2c2ccccc2)c(OC)c1 ZINC000252537115 567064254 /nfs/dbraw/zinc/06/42/54/567064254.db2.gz KIQHISXRKJPWKZ-ROUUACIJSA-N 0 3 297.398 3.692 50 0 CHAAHN C[C@H]1CC2=C(C[C@H]1CN1CCN(C)CC1)C(C)(C)CCC2 ZINC000019703378 567123265 /nfs/dbraw/zinc/12/32/65/567123265.db2.gz DNZOJJXQVWDKTC-RDJZCZTQSA-N 0 3 290.495 3.787 50 0 biogenic CHAAHN CC[C@@H](C)[C@@H](C)NCc1nc(-c2cccc(C)c2)no1 ZINC000095462639 567133133 /nfs/dbraw/zinc/13/31/33/567133133.db2.gz NPYGPEOXFQQELY-CHWSQXEVSA-N 0 3 273.380 3.569 50 0 CHAAHN Cc1nc(CCN[C@H](c2ccc(F)cn2)C(C)C)cs1 ZINC000095466841 567136573 /nfs/dbraw/zinc/13/65/73/567136573.db2.gz FHBRVPAJVUWYQZ-HNNXBMFYSA-N 0 3 293.411 3.515 50 0 CHAAHN CN(CCc1ccccc1)Cc1cnn(-c2ccccc2)c1 ZINC000057626073 567160117 /nfs/dbraw/zinc/16/01/17/567160117.db2.gz TZFISPFUNFBBMP-UHFFFAOYSA-N 0 3 291.398 3.547 50 0 CHAAHN Cc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000000196946 567822187 /nfs/dbraw/zinc/82/21/87/567822187.db2.gz LDNGMLUUTSJXLN-QGZVFWFLSA-N 0 3 262.356 3.711 50 0 biogenic CHAAHN COc1ccc(CN[C@@H](C)c2ccccc2)cc1OC ZINC000000570990 567833728 /nfs/dbraw/zinc/83/37/28/567833728.db2.gz UPMJXBLRDCBHGF-ZDUSSCGKSA-N 0 3 271.360 3.555 50 0 CHAAHN CN(C)CCN(Cc1ccc(Cl)s1)c1ccccc1 ZINC000096026360 567834676 /nfs/dbraw/zinc/83/46/76/567834676.db2.gz YHHOEVMEVVPVEF-UHFFFAOYSA-N 0 3 294.851 3.970 50 0 CHAAHN c1ccc([C@@H](CN2CCCCC2)Oc2ccccn2)cc1 ZINC000001700049 567841863 /nfs/dbraw/zinc/84/18/63/567841863.db2.gz MZPHZMLXLGXMTG-QGZVFWFLSA-N 0 3 282.387 3.688 50 0 CHAAHN Clc1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)cc1 ZINC000002435244 567846037 /nfs/dbraw/zinc/84/60/37/567846037.db2.gz LGJAXSGTPKDJHN-CQSZACIVSA-N 0 3 291.778 3.869 50 0 CHAAHN NCc1ccccc1Oc1ccc(C(F)(F)F)cc1 ZINC000002513067 567846456 /nfs/dbraw/zinc/84/64/56/567846456.db2.gz ZBZCERFGQGUNDC-UHFFFAOYSA-N 0 3 267.250 3.956 50 0 CHAAHN Cc1cccc(Cl)c1OCCOCCN1CCCCC1 ZINC000002896172 567850105 /nfs/dbraw/zinc/85/01/05/567850105.db2.gz FELNQNRERRBLDO-UHFFFAOYSA-N 0 3 297.826 3.530 50 0 CHAAHN N[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000004005965 567854669 /nfs/dbraw/zinc/85/46/69/567854669.db2.gz ZQNFUXDRYQQYAQ-IBGZPJMESA-N 0 3 289.378 3.623 50 0 CHAAHN CCOc1ccccc1CN[C@@H](C)c1ccccc1 ZINC000004657445 567858901 /nfs/dbraw/zinc/85/89/01/567858901.db2.gz AWBQBHNWOOPLMA-AWEZNQCLSA-N 0 3 255.361 3.936 50 0 CHAAHN CCn1c2ccccc2cc/c1=N\c1ccc(OC)cc1 ZINC000013286452 567865663 /nfs/dbraw/zinc/86/56/63/567865663.db2.gz WUBIVQSIQLGVCT-VHEBQXMUSA-N 0 3 278.355 3.902 50 0 CHAAHN COc1ccccc1Oc1ncccc1CNC1CCCC1 ZINC000015073932 567870255 /nfs/dbraw/zinc/87/02/55/567870255.db2.gz YAMYUDUPMMUOJU-UHFFFAOYSA-N 0 3 298.386 3.915 50 0 CHAAHN CCN1CCC[C@@H]1CNCc1c(Cl)cccc1Cl ZINC000019366890 567877799 /nfs/dbraw/zinc/87/77/99/567877799.db2.gz CYZZHQYWYYCKCC-LLVKDONJSA-N 0 3 287.234 3.567 50 0 CHAAHN Fc1ccc(CNC2CCCC2)c(Br)c1 ZINC000020037027 567880290 /nfs/dbraw/zinc/88/02/90/567880290.db2.gz JODVHTPYEWWBJG-UHFFFAOYSA-N 0 3 272.161 3.620 50 0 CHAAHN CC[C@](CO)(NCc1ccc(C)c(C)c1)c1ccccc1 ZINC000072289911 567884443 /nfs/dbraw/zinc/88/44/43/567884443.db2.gz KWNHYEFBWUINRS-LJQANCHMSA-N 0 3 283.415 3.691 50 0 CHAAHN C[C@@H]1CN(C2CCC(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000023282998 567888836 /nfs/dbraw/zinc/88/88/36/567888836.db2.gz YWHAEDFZOJVVRV-RCDYEMGKSA-N 0 3 273.420 3.822 50 0 CHAAHN Cc1ccccc1CN1CCN(c2cccc(C)c2C)CC1 ZINC000055544107 567894723 /nfs/dbraw/zinc/89/47/23/567894723.db2.gz GBKHHQSUZKQCQR-UHFFFAOYSA-N 0 3 294.442 3.934 50 0 CHAAHN C[C@@H](CN(C)Cc1cccc(-n2cccn2)c1)C(F)(F)F ZINC000072454455 567902462 /nfs/dbraw/zinc/90/24/62/567902462.db2.gz TZZULZQECIIJTQ-LBPRGKRZSA-N 0 3 297.324 3.503 50 0 CHAAHN Cc1n[nH]cc1CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000097159086 567905166 /nfs/dbraw/zinc/90/51/66/567905166.db2.gz QDZPGDADJZAIOO-IBGZPJMESA-N 0 3 291.398 3.792 50 0 CHAAHN Cc1ccc(CN2CCO[C@@H]3CCCC[C@H]32)c2cccnc12 ZINC000097529097 567910450 /nfs/dbraw/zinc/91/04/50/567910450.db2.gz UPFYUNLGQZCDRR-QZTJIDSGSA-N 0 3 296.414 3.687 50 0 CHAAHN Cc1ccc([C@H](C)CCN2CC(c3cccnc3)C2)o1 ZINC000097757843 567911243 /nfs/dbraw/zinc/91/12/43/567911243.db2.gz NTRAPPXQAQLETD-CYBMUJFWSA-N 0 3 270.376 3.576 50 0 CHAAHN C[C@@H](CCNC1c2ccccc2-c2ccccc21)[S@@](C)=O ZINC000166254200 567927369 /nfs/dbraw/zinc/92/73/69/567927369.db2.gz NFCZDHZGDPELJN-ZSEKCTLFSA-N 0 3 299.439 3.503 50 0 CHAAHN CCCN(CCC)Cc1nnc(-c2cccc(C)c2)o1 ZINC000062639733 567933081 /nfs/dbraw/zinc/93/30/81/567933081.db2.gz ZJHQMNQIDQCQIQ-UHFFFAOYSA-N 0 3 273.380 3.667 50 0 CHAAHN Cc1ccc2c(CN3CCCC[C@H]3C)cc(=O)oc2c1C ZINC000002355060 570216898 /nfs/dbraw/zinc/21/68/98/570216898.db2.gz MEUUBMIEFPFTSQ-CYBMUJFWSA-N 0 3 285.387 3.784 50 0 CHAAHN C[C@H](NCc1ccc(CO)cc1)c1ccc(F)c(Cl)c1 ZINC000226560355 570218287 /nfs/dbraw/zinc/21/82/87/570218287.db2.gz OZHYFDOAVRFVAF-NSHDSACASA-N 0 3 293.769 3.822 50 0 CHAAHN CC[C@@H](C)N(Cc1cccnc1)Cc1cccc(O)c1 ZINC000055099106 570240490 /nfs/dbraw/zinc/24/04/90/570240490.db2.gz DPAGHYMEWIWBSW-CQSZACIVSA-N 0 3 270.376 3.588 50 0 CHAAHN Fc1cccc([C@@H]2CCCN2CCc2ccncc2)c1 ZINC000048248662 570296599 /nfs/dbraw/zinc/29/65/99/570296599.db2.gz OOHIQGYXYNRHBJ-KRWDZBQOSA-N 0 3 270.351 3.600 50 0 CHAAHN Cc1nccn1CCN(C)Cc1cccc(Cl)c1Cl ZINC000215396592 570303017 /nfs/dbraw/zinc/30/30/17/570303017.db2.gz XXOYINHFOSUGCP-UHFFFAOYSA-N 0 3 298.217 3.630 50 0 CHAAHN Cc1n[nH]cc1CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000038011491 570313726 /nfs/dbraw/zinc/31/37/26/570313726.db2.gz FRYIDMLWNUFKKQ-HNNXBMFYSA-N 0 3 275.783 3.612 50 0 CHAAHN Cc1cnn(CCCN2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000244874501 570321009 /nfs/dbraw/zinc/32/10/09/570321009.db2.gz XCKCJTDIQRMMGS-QGZVFWFLSA-N 0 3 287.382 3.558 50 0 CHAAHN CC(=O)c1cc(CN2C[C@@H]3CC(C)=CC[C@@H]3C2)cs1 ZINC000244811777 570321047 /nfs/dbraw/zinc/32/10/47/570321047.db2.gz SLBBQZLNWMIHCE-CABCVRRESA-N 0 3 275.417 3.739 50 0 CHAAHN CN(C)[C@@H](CNc1nccc2occc21)c1ccccc1 ZINC000089313888 570356236 /nfs/dbraw/zinc/35/62/36/570356236.db2.gz LWGHKXTWKCWQCG-HNNXBMFYSA-N 0 3 281.359 3.543 50 0 CHAAHN Cc1cnn(CCN[C@H](C)c2ccc3ccccc3c2)c1 ZINC000089702502 570368133 /nfs/dbraw/zinc/36/81/33/570368133.db2.gz KKSYXAFLISBPMU-OAHLLOKOSA-N 0 3 279.387 3.696 50 0 CHAAHN CN(Cc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000000205714 570382390 /nfs/dbraw/zinc/38/23/90/570382390.db2.gz HDZOBZVWWSWEGP-UHFFFAOYSA-N 0 3 250.345 3.800 50 0 CHAAHN CC[C@H](C(=O)Nc1ccccc1CN(C)C)c1ccccc1 ZINC000024809034 1125586569 /nfs/dbraw/zinc/58/65/69/1125586569.db2.gz NWZADFDTBBTORU-KRWDZBQOSA-N 0 3 296.414 3.881 50 0 CHAAHN C[C@H](CCc1ccco1)NCc1nc2ccccc2o1 ZINC000679445335 1118076896 /nfs/dbraw/zinc/07/68/96/1118076896.db2.gz YFWXGEGHRXYEFN-GFCCVEGCSA-N 0 3 270.332 3.532 50 0 CHAAHN COC1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000053906815 1125434673 /nfs/dbraw/zinc/43/46/73/1125434673.db2.gz ZABSOCIKGRJOAQ-LLVKDONJSA-N 0 3 253.773 3.512 50 0 CHAAHN C1=CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000000217215 1129737427 /nfs/dbraw/zinc/73/74/27/1129737427.db2.gz ODPBLKSOTZBQHW-UHFFFAOYSA-N 0 3 276.383 3.642 50 0 CHAAHN O=C(Nc1ccccc1CN1CCCC1)[C@@H]1CC=CCC1 ZINC000041970849 1131653773 /nfs/dbraw/zinc/65/37/73/1131653773.db2.gz RHAVWTYZIZGUNG-OAHLLOKOSA-N 0 3 284.403 3.577 50 0 CHAAHN Cc1cccc2c1ncc(C)c2N1CC[C@H](OC(F)F)C1 ZINC000952845253 1132014423 /nfs/dbraw/zinc/01/44/23/1132014423.db2.gz NCDNDTUTRPXNNW-LBPRGKRZSA-N 0 3 292.329 3.670 50 0 CHAAHN Cc1cccc(-n2ccnc2SC[C@H](C)N(C)C)c1C ZINC000095941654 185036752 /nfs/dbraw/zinc/03/67/52/185036752.db2.gz SWVCJOVIMTZETG-ZDUSSCGKSA-N 0 3 289.448 3.531 50 0 CHAAHN Cc1cc(C)c([C@H](C)N[C@@H](C)c2cnn(C)c2)cc1C ZINC000095968480 185047187 /nfs/dbraw/zinc/04/71/87/185047187.db2.gz PBCFQAYEUNFVCA-GJZGRUSLSA-N 0 3 271.408 3.757 50 0 CHAAHN CCc1ccc([C@H](C)N[C@@H]2CCO[C@@]3(CCSC3)C2)o1 ZINC000110704197 186314132 /nfs/dbraw/zinc/31/41/32/186314132.db2.gz ZZDNZXRLQJBYGM-ZENOOKHLSA-N 0 3 295.448 3.547 50 0 CHAAHN CCc1ccc(C2c3cc(N)ccc3-c3oc(N)nc32)cc1 ZINC000004865800 170032893 /nfs/dbraw/zinc/03/28/93/170032893.db2.gz DIDYJOANRKTAMD-HNNXBMFYSA-N 0 3 291.354 3.562 50 0 CHAAHN COc1cc(CNCc2ccc(C)cc2C)cc(OC)c1 ZINC000004891720 170036955 /nfs/dbraw/zinc/03/69/55/170036955.db2.gz ZHSUMWAFUFKGOU-UHFFFAOYSA-N 0 3 285.387 3.610 50 0 CHAAHN Cc1ccc2c(CN3C[C@H](C)C[C@@H](C)C3)cc(=O)oc2c1 ZINC000005163220 170072470 /nfs/dbraw/zinc/07/24/70/170072470.db2.gz GYQYYSLJMFFRTC-ZIAGYGMSSA-N 0 3 285.387 3.579 50 0 biogenic CHAAHN CC(C)Oc1ccc(C(=O)CCN2CCCCCC2)cc1 ZINC000005230890 170077870 /nfs/dbraw/zinc/07/78/70/170077870.db2.gz OPYUZOGFEFQLKW-UHFFFAOYSA-N 0 3 289.419 3.923 50 0 CHAAHN CCOc1cccc(CN[C@@H](C)c2ccccc2)c1 ZINC000008325275 170331595 /nfs/dbraw/zinc/33/15/95/170331595.db2.gz MRVPCJNRVNUKKG-AWEZNQCLSA-N 0 3 255.361 3.936 50 0 CHAAHN Cc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCCCC1 ZINC000008700844 170346825 /nfs/dbraw/zinc/34/68/25/170346825.db2.gz GSJMLMQMOQLUHT-UHFFFAOYSA-N 0 3 290.794 3.888 50 0 CHAAHN C[C@H](C[C@@H]1OC[C@@H](CN2CCCCC2)O1)CC(C)(C)C ZINC000013509665 170557048 /nfs/dbraw/zinc/55/70/48/170557048.db2.gz HFXRXQYPTWPANL-BZUAXINKSA-N 0 3 283.456 3.676 50 0 CHAAHN COc1ccc(CN[C@H]2CCCc3ccccc32)cc1O ZINC000020133445 171020981 /nfs/dbraw/zinc/02/09/81/171020981.db2.gz MTWLFDAFSBSZFM-INIZCTEOSA-N 0 3 283.371 3.568 50 0 CHAAHN Cc1ccc(CN2CCC(Cc3ccc(F)cc3)CC2)cn1 ZINC000020868693 171277220 /nfs/dbraw/zinc/27/72/20/171277220.db2.gz SJQFTHBMSSCFEG-UHFFFAOYSA-N 0 3 298.405 3.984 50 0 CHAAHN CC(C)Oc1ccc(CNCc2ccccc2)cc1 ZINC000032108824 171701180 /nfs/dbraw/zinc/70/11/80/171701180.db2.gz PBLUSNUAHQRJJG-UHFFFAOYSA-N 0 3 255.361 3.764 50 0 CHAAHN C[C@@H](NCC[C@@H]1CCCO1)c1ccccc1Cl ZINC000038095405 174108773 /nfs/dbraw/zinc/10/87/73/174108773.db2.gz SDMYIDDJBLPLIS-NEPJUHHUSA-N 0 3 253.773 3.560 50 0 CHAAHN CCc1ccccc1NC(=O)CN(CC(C)C)C(C)C ZINC000040091284 174189494 /nfs/dbraw/zinc/18/94/94/174189494.db2.gz AGTOHMKTIDXVQP-UHFFFAOYSA-N 0 3 276.424 3.554 50 0 CHAAHN COc1cccc(-n2cc(CN(C)CC3CCCC3)cn2)c1 ZINC000072172962 176333882 /nfs/dbraw/zinc/33/38/82/176333882.db2.gz SXZFPGYIYNXBPA-UHFFFAOYSA-N 0 3 299.418 3.503 50 0 CHAAHN CC[C@@H]1CN(c2ccc3ccccc3n2)CCN1C(C)C ZINC000077287690 177249107 /nfs/dbraw/zinc/24/91/07/177249107.db2.gz KGDOGJRMQOZHDQ-MRXNPFEDSA-N 0 3 283.419 3.544 50 0 CHAAHN Cc1ccc(CN[C@@H](C)CC(=O)Nc2ccccc2)s1 ZINC000078432554 177341030 /nfs/dbraw/zinc/34/10/30/177341030.db2.gz LLBWUVWXYOTRRH-LBPRGKRZSA-N 0 3 288.416 3.563 50 0 CHAAHN Fc1ccc(C2(NCc3ccccc3)CCOCC2)cc1 ZINC000078665153 177368477 /nfs/dbraw/zinc/36/84/77/177368477.db2.gz ODYFYRGRHIMMCE-UHFFFAOYSA-N 0 3 285.362 3.621 50 0 CHAAHN CCSC[C@H](C)NCc1cc(-c2cccc(F)c2)no1 ZINC000534629403 328328313 /nfs/dbraw/zinc/32/83/13/328328313.db2.gz NRMZOSKCEFRCFZ-NSHDSACASA-N 0 3 294.395 3.712 50 0 CHAAHN Cc1ccc([C@@H](NC2CCOCC2)c2cccnc2)cc1C ZINC000534631020 328331384 /nfs/dbraw/zinc/33/13/84/328331384.db2.gz FHLBISIRQZTILH-LJQANCHMSA-N 0 3 296.414 3.556 50 0 CHAAHN Cc1ccc(CN2CCN(C)[C@H](c3ccccc3)C2)s1 ZINC000215255151 566860627 /nfs/dbraw/zinc/86/06/27/566860627.db2.gz FULCCOPNHSVULC-KRWDZBQOSA-N 0 3 286.444 3.545 50 0 CHAAHN COc1cc2c(cc1OC)C(C)(C)CN[C@H]2c1ccccc1 ZINC000041498081 566898140 /nfs/dbraw/zinc/89/81/40/566898140.db2.gz CSBSKOYHZJQRMM-SFHVURJKSA-N 0 3 297.398 3.674 50 0 CHAAHN CN1[C@@H](c2ccccc2)C[C@H](O)C[C@H]1c1ccccc1 ZINC000239287453 566965828 /nfs/dbraw/zinc/96/58/28/566965828.db2.gz CVCRCZBXPUGBNK-BCDXTJNWSA-N 0 3 267.372 3.556 50 0 CHAAHN c1ccc([C@@H](NCc2cccc3c2OCO3)C2CC2)cc1 ZINC000036325161 566997125 /nfs/dbraw/zinc/99/71/25/566997125.db2.gz URZHZOFVFYUBGW-QGZVFWFLSA-N 0 3 281.355 3.656 50 0 CHAAHN CCCCCC[C@H]1CCC[C@H]1NCc1ccno1 ZINC000170595407 567012854 /nfs/dbraw/zinc/01/28/54/567012854.db2.gz PRXZIFJVJZTLHL-DZGCQCFKSA-N 0 3 250.386 3.903 50 0 CHAAHN CC(C)n1c(CNCC(C)(C)C)nc2ccccc21 ZINC000076017836 567027705 /nfs/dbraw/zinc/02/77/05/567027705.db2.gz CQDJIVVZZVACQL-UHFFFAOYSA-N 0 3 259.397 3.753 50 0 CHAAHN C[C@@H](NCCc1cccc2cccnc21)c1ccco1 ZINC000089910126 567029737 /nfs/dbraw/zinc/02/97/37/567029737.db2.gz LGBGFIZBWHFYBZ-CYBMUJFWSA-N 0 3 266.344 3.721 50 0 CHAAHN CC(C)c1cccc(C(C)C)c1OCCOCCN(C)C ZINC000002823344 567037217 /nfs/dbraw/zinc/03/72/17/567037217.db2.gz FVNACQPRKDHVFC-UHFFFAOYSA-N 0 3 293.451 3.890 50 0 CHAAHN Cc1nn(C)c(C)c1[C@@H](C)NCc1ccc(C)cc1C ZINC000253422845 567098198 /nfs/dbraw/zinc/09/81/98/567098198.db2.gz CVQDQMKBXYWZOO-CYBMUJFWSA-N 0 3 271.408 3.505 50 0 CHAAHN C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccccc1Cl ZINC000095389744 567127966 /nfs/dbraw/zinc/12/79/66/567127966.db2.gz PVWOAYIOLDHXGL-CHWSQXEVSA-N 0 3 295.810 3.676 50 0 CHAAHN CCOc1cc(CN[C@H](C)c2sccc2C)ccn1 ZINC000095420325 567130870 /nfs/dbraw/zinc/13/08/70/567130870.db2.gz JHNZYCWMJRDGGL-GFCCVEGCSA-N 0 3 276.405 3.701 50 0 CHAAHN CC(C)CSC[C@H](C)N[C@@H](C)c1ccncc1 ZINC000095419214 567131110 /nfs/dbraw/zinc/13/11/10/567131110.db2.gz JNGLMTALZAJMGS-STQMWFEESA-N 0 3 252.427 3.510 50 0 CHAAHN c1csc(CCCNCc2cnc(C3CCC3)s2)n1 ZINC000095415498 567131270 /nfs/dbraw/zinc/13/12/70/567131270.db2.gz GEODRZQZIWGFNK-UHFFFAOYSA-N 0 3 293.461 3.590 50 0 CHAAHN C[C@H](NCCc1ccccc1F)c1cccnc1Cl ZINC000095419367 567131309 /nfs/dbraw/zinc/13/13/09/567131309.db2.gz NJTYQHWSUCRCJZ-NSHDSACASA-N 0 3 278.758 3.767 50 0 CHAAHN C[C@@H](NCC1(c2cccs2)CCCC1)c1cnccn1 ZINC000095421412 567132521 /nfs/dbraw/zinc/13/25/21/567132521.db2.gz ANJAGBBPAHMPKU-CYBMUJFWSA-N 0 3 287.432 3.701 50 0 CHAAHN c1ccc(O[C@H]2CCCN[C@H]2c2ccccc2)cc1 ZINC000096027214 567138307 /nfs/dbraw/zinc/13/83/07/567138307.db2.gz NMSLARHWBMBDOA-IRXDYDNUSA-N 0 3 253.345 3.559 50 0 CHAAHN Cc1cnc(CN(C)C[C@@]2(c3ccccc3)CC2(C)C)cn1 ZINC000670469574 567193948 /nfs/dbraw/zinc/19/39/48/567193948.db2.gz LPZRSXSQLBIUOC-LJQANCHMSA-N 0 3 295.430 3.585 50 0 CHAAHN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@H](C)C1 ZINC000069378446 567200459 /nfs/dbraw/zinc/20/04/59/567200459.db2.gz HYVYTRFOOREVKP-KGLIPLIRSA-N 0 3 282.387 3.509 50 0 CHAAHN Clc1ccc(CN2c3ccccc3N3CCN=C23)cc1 ZINC000000301938 567824716 /nfs/dbraw/zinc/82/47/16/567824716.db2.gz AYIKBEAJWJAMJL-UHFFFAOYSA-N 0 3 283.762 3.536 50 0 CHAAHN Cc1ccc(C)c(CN2CCN(c3ccccc3C)CC2)c1 ZINC000001227136 567836428 /nfs/dbraw/zinc/83/64/28/567836428.db2.gz HEZYRHAHNXFXCA-UHFFFAOYSA-N 0 3 294.442 3.934 50 0 CHAAHN CCN(CC)CCOc1ccc(C(=O)c2ccccc2)cc1 ZINC000001690792 567841621 /nfs/dbraw/zinc/84/16/21/567841621.db2.gz GSTOOYJSPRJGDO-UHFFFAOYSA-N 0 3 297.398 3.638 50 0 CHAAHN Brc1ccc(CNCc2cccs2)cc1 ZINC000004657500 567858775 /nfs/dbraw/zinc/85/87/75/567858775.db2.gz CQRMPPYXHRNRII-UHFFFAOYSA-N 0 3 282.206 3.800 50 0 CHAAHN CCC(=O)c1ccc(OCCCN2CCC(C)CC2)cc1 ZINC000004870104 567859228 /nfs/dbraw/zinc/85/92/28/567859228.db2.gz AFLNEOSXJRFKJB-UHFFFAOYSA-N 0 3 289.419 3.780 50 0 CHAAHN O=C(Nc1ccc(F)cc1)c1ccc(CN2CCCC2)cc1 ZINC000010333737 567861294 /nfs/dbraw/zinc/86/12/94/567861294.db2.gz QRFLESIRXUPKAP-UHFFFAOYSA-N 0 3 298.361 3.674 50 0 CHAAHN O=C(Nc1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000010367487 567861297 /nfs/dbraw/zinc/86/12/97/567861297.db2.gz VUPDBXGRBZQPMN-UHFFFAOYSA-N 0 3 294.398 3.925 50 0 CHAAHN C[C@H]1CN(CCCc2ccccc2)Cc2ccccc2O1 ZINC000012004489 567862436 /nfs/dbraw/zinc/86/24/36/567862436.db2.gz DXPOENDRFICJIY-INIZCTEOSA-N 0 3 281.399 3.902 50 0 CHAAHN Cc1ccccc1Oc1ncccc1CNC1CCC1 ZINC000012204009 567862725 /nfs/dbraw/zinc/86/27/25/567862725.db2.gz VAXRABUDKAEXFK-UHFFFAOYSA-N 0 3 268.360 3.824 50 0 CHAAHN CCOc1ccc(Br)cc1[C@H]1CCCCN1 ZINC000012404752 567863195 /nfs/dbraw/zinc/86/31/95/567863195.db2.gz GBHXWRIXBNBGGJ-GFCCVEGCSA-N 0 3 284.197 3.662 50 0 CHAAHN N#CC1c2ccccc2C=CN1C(=O)C1=CCCCC1 ZINC000000085502 567864203 /nfs/dbraw/zinc/86/42/03/567864203.db2.gz TWPVSKQOCKYSJE-MRXNPFEDSA-N 0 3 264.328 3.565 50 0 CHAAHN Cc1ccc([C@H]2CN(C)C[C@H]2C(=O)c2ccc(F)cc2)cc1 ZINC000013147148 567865103 /nfs/dbraw/zinc/86/51/03/567865103.db2.gz BYKGNHGDMQKYEE-QZTJIDSGSA-N 0 3 297.373 3.662 50 0 CHAAHN Fc1cccc(Cl)c1CNCCc1ccccc1 ZINC000016479296 567872979 /nfs/dbraw/zinc/87/29/79/567872979.db2.gz DGRZHZDIKBXQIJ-UHFFFAOYSA-N 0 3 263.743 3.811 50 0 CHAAHN COc1ccc([C@H]2NCCc3c4cc(C)ccc4[nH]c32)cc1 ZINC000019702293 567878613 /nfs/dbraw/zinc/87/86/13/567878613.db2.gz VFUYROFTDOIHPO-GOSISDBHSA-N 0 3 292.382 3.720 50 0 biogenic CHAAHN Clc1ccc(CN2CCN(C3CCCCC3)CC2)cc1 ZINC000019788921 567879298 /nfs/dbraw/zinc/87/92/98/567879298.db2.gz UYIZMAPXJJRKPV-UHFFFAOYSA-N 0 3 292.854 3.790 50 0 CHAAHN OC[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000023115012 567881679 /nfs/dbraw/zinc/88/16/79/567881679.db2.gz JIFACQLQJFFQTP-QGZVFWFLSA-N 0 3 297.398 3.683 50 0 CHAAHN Cc1ccc2nc(-c3ccc(NC(=N)N)cc3)sc2c1 ZINC000034936089 567888940 /nfs/dbraw/zinc/88/89/40/567888940.db2.gz WVTBXWSYCLOUMG-UHFFFAOYSA-N 0 3 282.372 3.577 50 0 CHAAHN COCC[C@H]1CCCCN1Cc1ccc(Cl)s1 ZINC000065430559 567898957 /nfs/dbraw/zinc/89/89/57/567898957.db2.gz FHJCZBHDSVPRCA-LLVKDONJSA-N 0 3 273.829 3.793 50 0 CHAAHN CN(Cc1cccs1)Cc1cccc(-n2cccn2)c1 ZINC000065408467 567898971 /nfs/dbraw/zinc/89/89/71/567898971.db2.gz WMXOWPAFJCDFSS-UHFFFAOYSA-N 0 3 283.400 3.566 50 0 CHAAHN CC[C@@H](c1cccnc1)N(C)Cc1ccc(NC(C)=O)cc1 ZINC000065396668 567898987 /nfs/dbraw/zinc/89/89/87/567898987.db2.gz HZRSQBHUXDZOTM-SFHVURJKSA-N 0 3 297.402 3.623 50 0 CHAAHN Cc1cccnc1C[C@H](C)N(C)Cc1cccs1 ZINC000065489699 567899521 /nfs/dbraw/zinc/89/95/21/567899521.db2.gz IAZABEFLNPNGRN-ZDUSSCGKSA-N 0 3 260.406 3.515 50 0 CHAAHN CNCc1cc(-c2ccc3[nH]ccc3c2)ccc1OC ZINC000067855315 567900576 /nfs/dbraw/zinc/90/05/76/567900576.db2.gz SPDLSIHBSAXAPI-UHFFFAOYSA-N 0 3 266.344 3.563 50 0 CHAAHN COc1ccc(CNCc2cc(C)c(C)cc2C)cc1OC ZINC000072659258 567908148 /nfs/dbraw/zinc/90/81/48/567908148.db2.gz QZPGZMZNMOBDTB-UHFFFAOYSA-N 0 3 299.414 3.919 50 0 CHAAHN CCN(Cc1csc(C(C)=O)c1)[C@@H]1CCOC(C)(C)C1 ZINC000097515043 567910558 /nfs/dbraw/zinc/91/05/58/567910558.db2.gz NXZCLCXQRIWUQT-CQSZACIVSA-N 0 3 295.448 3.730 50 0 CHAAHN c1ccc2nc(CN3CCC4(CCOCC4)CC3)ccc2c1 ZINC000097532705 567910704 /nfs/dbraw/zinc/91/07/04/567910704.db2.gz PIDCWGPHZORYGL-UHFFFAOYSA-N 0 3 296.414 3.627 50 0 CHAAHN Cc1ncc(C(C)C)c(-c2ccc(CN(C)C)cc2)n1 ZINC000097679999 567910893 /nfs/dbraw/zinc/91/08/93/567910893.db2.gz NBPUVXLZRZZKGH-UHFFFAOYSA-N 0 3 269.392 3.637 50 0 CHAAHN O[C@@H]1CCCN(Cc2ccc(C3CCCC3)s2)CC1 ZINC000097660708 567910996 /nfs/dbraw/zinc/91/09/96/567910996.db2.gz FCJAQJQLUIAWEA-CQSZACIVSA-N 0 3 279.449 3.753 50 0 CHAAHN Cc1cc(C)c(NC(=O)[C@H](C)N2CCCCCC2)c(C)c1 ZINC000000186674 567924843 /nfs/dbraw/zinc/92/48/43/567924843.db2.gz SPHISTHYEUHNGE-INIZCTEOSA-N 0 3 288.435 3.815 50 0 CHAAHN COc1cc(CN[C@H]2CCCc3ccccc32)cc(OC)c1 ZINC000000263773 567935638 /nfs/dbraw/zinc/93/56/38/567935638.db2.gz ZIECMJLJJMFKOW-IBGZPJMESA-N 0 3 297.398 3.871 50 0 CHAAHN CCCCN(C)Cc1cc(Br)ccc1OC ZINC000016662746 567944321 /nfs/dbraw/zinc/94/43/21/567944321.db2.gz MJNWVWXRMTZFIJ-UHFFFAOYSA-N 0 3 286.213 3.690 50 0 CHAAHN c1ccc([C@@H](Cc2ccccn2)NC[C@H]2CCC=CO2)cc1 ZINC000225585845 567953968 /nfs/dbraw/zinc/95/39/68/567953968.db2.gz HCSYVPMFZHCBQS-RTBURBONSA-N 0 3 294.398 3.648 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CN[C@H]2CCO[C@H]2C)o1 ZINC000225526780 567954083 /nfs/dbraw/zinc/95/40/83/567954083.db2.gz LMKYQIPQPORYNZ-LRDDRELGSA-N 0 3 289.350 3.661 50 0 CHAAHN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cc2cc(Cl)ccc2o1 ZINC000097370978 570218704 /nfs/dbraw/zinc/21/87/04/570218704.db2.gz CKAXKZTXEDSHQU-UHIISALHSA-N 0 3 291.778 3.674 50 0 CHAAHN Cc1ccc(CN(C/C=C/c2ccco2)CCCO)s1 ZINC000055385885 570242745 /nfs/dbraw/zinc/24/27/45/570242745.db2.gz DMLCWEBPHSSXCG-GORDUTHDSA-N 0 3 291.416 3.547 50 0 CHAAHN CCC[C@H](C)NCc1cnc(-c2cccc(C)c2)nc1 ZINC000055358259 570242808 /nfs/dbraw/zinc/24/28/08/570242808.db2.gz FRYUICRXKXBPIP-AWEZNQCLSA-N 0 3 269.392 3.730 50 0 CHAAHN C[C@@H](CN1CCCCC1)Nc1nc2ccccc2s1 ZINC000047873392 570341641 /nfs/dbraw/zinc/34/16/41/570341641.db2.gz FKMDFAOYUGNJPD-LBPRGKRZSA-N 0 3 275.421 3.583 50 0 CHAAHN Cc1cnn(CCN[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000089702501 570368041 /nfs/dbraw/zinc/36/80/41/570368041.db2.gz KKSYXAFLISBPMU-HNNXBMFYSA-N 0 3 279.387 3.696 50 0 CHAAHN C[C@@H](N[C@H]1CCCCc2ccccc21)c1cnn(C)c1 ZINC000095421534 570371786 /nfs/dbraw/zinc/37/17/86/570371786.db2.gz JCRHAKYNJRCVAR-DYVFJYSZSA-N 0 3 269.392 3.538 50 0 CHAAHN O=C(c1ccccc1)[C@H](CN1CCCC1)c1ccccc1 ZINC000000436612 570383285 /nfs/dbraw/zinc/38/32/85/570383285.db2.gz RKMMNJJFYFRSOY-GOSISDBHSA-N 0 3 279.383 3.749 50 0 CHAAHN C[C@H](NCC(=O)NC1CCCCCCC1)c1ccccc1 ZINC000216154919 1120244736 /nfs/dbraw/zinc/24/47/36/1120244736.db2.gz JKSAHXZWJRUXFO-HNNXBMFYSA-N 0 3 288.435 3.566 50 0 CHAAHN Cc1ccc(C)c(N2CCN(CCc3ccccc3)CC2)c1 ZINC000004981114 1120936067 /nfs/dbraw/zinc/93/60/67/1120936067.db2.gz IDAVULAGODHNKZ-UHFFFAOYSA-N 0 3 294.442 3.668 50 0 CHAAHN CCOc1ccc(CN2CCC[C@H](COC)C2)cc1Cl ZINC000215034184 1125425384 /nfs/dbraw/zinc/42/53/84/1125425384.db2.gz WHDFEKRYJMVYRP-AWEZNQCLSA-N 0 3 297.826 3.597 50 0 CHAAHN O[C@H](c1cccs1)C1CCN(Cc2cccs2)CC1 ZINC000952968322 1132019375 /nfs/dbraw/zinc/01/93/75/1132019375.db2.gz KXAFCOSRZCKOHJ-HNNXBMFYSA-N 0 3 293.457 3.755 50 0 CHAAHN Cc1ccsc1[C@H](C)NCc1sc(C)nc1C ZINC000097017134 230386151 /nfs/dbraw/zinc/38/61/51/230386151.db2.gz ZPJRWUSFBNNPNB-JTQLQIEISA-N 0 3 266.435 3.981 50 0 CHAAHN C[C@@H](NCC[S@](=O)C(C)(C)C)c1cc2ccccc2o1 ZINC000095968130 185046232 /nfs/dbraw/zinc/04/62/32/185046232.db2.gz GWPVQKBLQIGYOR-MPBGBICISA-N 0 3 293.432 3.631 50 0 CHAAHN CCOCCN[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000096979504 185145808 /nfs/dbraw/zinc/14/58/08/185145808.db2.gz OAAONTXSSSHNPW-GOSISDBHSA-N 0 3 269.388 3.711 50 0 CHAAHN Fc1c(Br)cccc1CNC1CCCC1 ZINC000085471723 179077232 /nfs/dbraw/zinc/07/72/32/179077232.db2.gz NOGCVTOHKLXGNX-UHFFFAOYSA-N 0 3 272.161 3.620 50 0 CHAAHN CC(C)(C)[S@@](=O)CCNCc1cc2ccccc2s1 ZINC000089694431 179847861 /nfs/dbraw/zinc/84/78/61/179847861.db2.gz CDANTVKBPHSEGB-LJQANCHMSA-N 0 3 295.473 3.538 50 0 CHAAHN CC[C@@H](N)C(=O)N([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000129503331 187435480 /nfs/dbraw/zinc/43/54/80/187435480.db2.gz XCFJBCVSMVGXHZ-FZKQIMNGSA-N 0 3 296.414 3.629 50 0 CHAAHN Cc1ccc([C@H](C)NC[C@@H](C)c2c(C)noc2C)o1 ZINC000090727904 180032985 /nfs/dbraw/zinc/03/29/85/180032985.db2.gz QOPZJJRSBOSIGO-KOLCDFICSA-N 0 3 262.353 3.647 50 0 CHAAHN Cc1ccc([C@@H](C)NCc2cccc(CO)c2)c(C)c1 ZINC000095421977 184976545 /nfs/dbraw/zinc/97/65/45/184976545.db2.gz AMATZJLJULKYJR-OAHLLOKOSA-N 0 3 269.388 3.647 50 0 CHAAHN COc1ccc(CNCc2ccccc2)cc1Cl ZINC000004838640 170026925 /nfs/dbraw/zinc/02/69/25/170026925.db2.gz ANNMIRLECRIUBN-UHFFFAOYSA-N 0 3 261.752 3.638 50 0 CHAAHN CC(C)(C)c1cccc(OCCNCc2ccco2)c1 ZINC000004841939 170028204 /nfs/dbraw/zinc/02/82/04/170028204.db2.gz YREBMRUZSJPSMK-UHFFFAOYSA-N 0 3 273.376 3.746 50 0 CHAAHN Cc1cccc(C(C)(C)C)c1OCCN1CCCC1 ZINC000004845466 170029766 /nfs/dbraw/zinc/02/97/66/170029766.db2.gz RYKGKNLSWBIJOV-UHFFFAOYSA-N 0 3 261.409 3.767 50 0 CHAAHN c1ccc(COc2ccc(CNC[C@H]3CCCO3)cc2)cc1 ZINC000005999259 170166745 /nfs/dbraw/zinc/16/67/45/170166745.db2.gz IDLYQRWYDXBNSN-LJQANCHMSA-N 0 3 297.398 3.534 50 0 CHAAHN Cc1ccc2[nH]c(C)c(CN3CCCCCC3)c(=O)c2c1 ZINC000008700840 170346792 /nfs/dbraw/zinc/34/67/92/170346792.db2.gz GODGRUBVTDXABX-UHFFFAOYSA-N 0 3 284.403 3.933 50 0 CHAAHN COCCNCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000013945877 170611000 /nfs/dbraw/zinc/61/10/00/170611000.db2.gz OWNPQYPUEZJENF-UHFFFAOYSA-N 0 3 279.767 3.644 50 0 CHAAHN Cc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)s1 ZINC000020123162 171004437 /nfs/dbraw/zinc/00/44/37/171004437.db2.gz CVRHOUDUEACLQT-HNNXBMFYSA-N 0 3 290.432 3.576 50 0 CHAAHN O[C@@H](CNCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000020509358 171229869 /nfs/dbraw/zinc/22/98/69/171229869.db2.gz WQSDSDPSYHICRT-HNNXBMFYSA-N 0 3 296.197 3.817 50 0 CHAAHN O[C@H](CNCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000020509360 171230158 /nfs/dbraw/zinc/23/01/58/171230158.db2.gz WQSDSDPSYHICRT-OAHLLOKOSA-N 0 3 296.197 3.817 50 0 CHAAHN CN(Cc1nnc(-c2ccccc2)o1)C1CCCCC1 ZINC000020867784 171276749 /nfs/dbraw/zinc/27/67/49/171276749.db2.gz AZFHQJNYWSRGQN-UHFFFAOYSA-N 0 3 271.364 3.501 50 0 CHAAHN COc1ccc(CN[C@@H](C)c2cc(C)sc2C)cc1O ZINC000035252890 172082602 /nfs/dbraw/zinc/08/26/02/172082602.db2.gz KQEBAOWATCLIPU-NSHDSACASA-N 0 3 291.416 3.930 50 0 CHAAHN O[C@@H](CNCc1ccccc1)c1ccc2ccccc2c1 ZINC000037873776 173817271 /nfs/dbraw/zinc/81/72/71/173817271.db2.gz CTNYAHYHHWIJAG-IBGZPJMESA-N 0 3 277.367 3.663 50 0 CHAAHN Oc1cccc(CC[C@H]2CCCCN2Cc2cccnc2)c1 ZINC000072133892 176321510 /nfs/dbraw/zinc/32/15/10/176321510.db2.gz PFFKKLQFQJFEQA-GOSISDBHSA-N 0 3 296.414 3.775 50 0 CHAAHN Cc1ccc2ncccc2c1CN1CC(c2cccnc2)C1 ZINC000072145584 176325253 /nfs/dbraw/zinc/32/52/53/176325253.db2.gz JZUNONVSFOOYHZ-UHFFFAOYSA-N 0 3 289.382 3.538 50 0 CHAAHN CC[C@H]1CN(Cc2ccccc2SC)CCN1C(C)C ZINC000072156565 176328683 /nfs/dbraw/zinc/32/86/83/176328683.db2.gz HFJMLHHOZRHOSX-INIZCTEOSA-N 0 3 292.492 3.713 50 0 CHAAHN COCCC[C@H]1CCCN(Cc2ccc(O)cc2Cl)C1 ZINC000077457480 177271413 /nfs/dbraw/zinc/27/14/13/177271413.db2.gz ADJIZBDKXVJCFT-CYBMUJFWSA-N 0 3 297.826 3.684 50 0 CHAAHN CN(C)CCO[C@@H](c1ccc(F)cc1)c1ccccc1F ZINC000252510311 328105953 /nfs/dbraw/zinc/10/59/53/328105953.db2.gz ZGSVAPHMVNXVJF-KRWDZBQOSA-N 0 3 291.341 3.632 50 0 CHAAHN C[C@@H](NCc1ccccc1Cl)[C@H](O)c1ccccc1 ZINC000019871869 326857779 /nfs/dbraw/zinc/85/77/79/326857779.db2.gz KCYXVAXVDNWVJI-WBMJQRKESA-N 0 3 275.779 3.552 50 0 CHAAHN COc1ccc(CC[C@H](C)NCc2csc(C)n2)cc1 ZINC000041010555 523984196 /nfs/dbraw/zinc/98/41/96/523984196.db2.gz MWFUOCWZZCAKRS-LBPRGKRZSA-N 0 3 290.432 3.571 50 0 CHAAHN C[C@H](C[C@@H]1OC[C@H](CN2CCCCC2)O1)CC(C)(C)C ZINC000004094040 566857653 /nfs/dbraw/zinc/85/76/53/566857653.db2.gz HFXRXQYPTWPANL-OWCLPIDISA-N 0 3 283.456 3.676 50 0 CHAAHN CC(C)N(Cc1ccc(Cl)cc1Cl)CC(C)(C)O ZINC000084597275 566884797 /nfs/dbraw/zinc/88/47/97/566884797.db2.gz SLPAVWJZEXMOFJ-UHFFFAOYSA-N 0 3 290.234 3.975 50 0 CHAAHN CCc1cccc(CC)c1NC(=O)OCCN(CC)CC ZINC000001590804 566912085 /nfs/dbraw/zinc/91/20/85/566912085.db2.gz HEZUHPQEDLUTBB-UHFFFAOYSA-N 0 3 292.423 3.702 50 0 CHAAHN COc1ccc(CN(C)C)c(Sc2cccc(O)c2)c1 ZINC000075373219 566944003 /nfs/dbraw/zinc/94/40/03/566944003.db2.gz UOTJCPKXENOSFE-UHFFFAOYSA-N 0 3 289.400 3.614 50 0 CHAAHN CC(C)(CC1CCCCCC1)NCc1ccon1 ZINC000170086822 567006395 /nfs/dbraw/zinc/00/63/95/567006395.db2.gz BWBBKPADLJKHMV-UHFFFAOYSA-N 0 3 250.386 3.903 50 0 CHAAHN Cc1n[nH]cc1CN[C@H](CC(C)C)c1cccs1 ZINC000065464969 567008401 /nfs/dbraw/zinc/00/84/01/567008401.db2.gz OKBGTLFXEGZDDT-CYBMUJFWSA-N 0 3 263.410 3.657 50 0 CHAAHN C[C@@H](NCC1=CCCOC1)c1ccc2ccccc2c1 ZINC000089905139 567031340 /nfs/dbraw/zinc/03/13/40/567031340.db2.gz IJJCDVHNYZAXLG-CQSZACIVSA-N 0 3 267.372 3.837 50 0 CHAAHN Cc1nn(C)c(C)c1[C@H](C)NCc1ccc(C)c(C)c1 ZINC000252489059 567057868 /nfs/dbraw/zinc/05/78/68/567057868.db2.gz JEDFGUIVWXBHLE-ZDUSSCGKSA-N 0 3 271.408 3.505 50 0 CHAAHN C[C@H](C[C@H]1OC[C@H](CN2CCCCC2)O1)CC(C)(C)C ZINC000004094041 567074251 /nfs/dbraw/zinc/07/42/51/567074251.db2.gz HFXRXQYPTWPANL-PMPSAXMXSA-N 0 3 283.456 3.676 50 0 CHAAHN Cc1cc(-c2cncc(CN3CCCC3)c2)ccc1F ZINC000037554183 567068138 /nfs/dbraw/zinc/06/81/38/567068138.db2.gz GCTPVCXATWNWIJ-UHFFFAOYSA-N 0 3 270.351 3.792 50 0 CHAAHN CC[C@H](N[C@H](C)c1ccc(C)s1)c1cnn(C)c1 ZINC000195540561 567069973 /nfs/dbraw/zinc/06/99/73/567069973.db2.gz BUAUKORTRXMEAI-YPMHNXCESA-N 0 3 263.410 3.592 50 0 CHAAHN Cc1csc([C@H](N[C@@H](C)CC2CC2)C2CC2)n1 ZINC000095423327 567130940 /nfs/dbraw/zinc/13/09/40/567130940.db2.gz MWANTBSXULGPNE-TVQRCGJNSA-N 0 3 250.411 3.681 50 0 CHAAHN Cc1csc([C@@H](N[C@@H](C)CC2CC2)C2CC2)n1 ZINC000095423328 567131473 /nfs/dbraw/zinc/13/14/73/567131473.db2.gz MWANTBSXULGPNE-ZANVPECISA-N 0 3 250.411 3.681 50 0 CHAAHN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(SC(F)F)cc1 ZINC000095450954 567133304 /nfs/dbraw/zinc/13/33/04/567133304.db2.gz WEYIFIHHUHNDFE-GMXVVIOVSA-N 0 3 299.386 3.589 50 0 CHAAHN Cc1nc2ccccc2c(N2CCC[C@H](O)C2)c1C(C)C ZINC000096006345 567135849 /nfs/dbraw/zinc/13/58/49/567135849.db2.gz CZEGFLZZHLTUKH-AWEZNQCLSA-N 0 3 284.403 3.628 50 0 CHAAHN Cc1ccc([C@H](C)NC2CCN(c3ccc(C)cn3)CC2)o1 ZINC000095968423 567136592 /nfs/dbraw/zinc/13/65/92/567136592.db2.gz XOZDYDXWMSJQLP-HNNXBMFYSA-N 0 3 299.418 3.611 50 0 CHAAHN CC(C)(C)c1ccc(C(=O)OCCN2CCCCC2)cc1 ZINC000000210665 567822535 /nfs/dbraw/zinc/82/25/35/567822535.db2.gz BYQJGVNTEVSHNY-UHFFFAOYSA-N 0 3 289.419 3.627 50 0 CHAAHN CCOCCCNCc1c(Cl)cccc1Cl ZINC000002923715 567850621 /nfs/dbraw/zinc/85/06/21/567850621.db2.gz WGJIHSTVZZDWQY-UHFFFAOYSA-N 0 3 262.180 3.510 50 0 CHAAHN COc1ccc([C@H](C)NCc2ccccc2)cc1OC ZINC000004240691 567856267 /nfs/dbraw/zinc/85/62/67/567856267.db2.gz VWNXQIVCUARDPH-ZDUSSCGKSA-N 0 3 271.360 3.555 50 0 CHAAHN CCCN1CCC[C@@H](C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC000012507505 567863472 /nfs/dbraw/zinc/86/34/72/567863472.db2.gz WIFQZKFWPZEZCK-OAHLLOKOSA-N 0 3 289.419 3.617 50 0 CHAAHN CC[C@@H](C)[C@@H](C)NCc1ccccc1Br ZINC000042419222 567891604 /nfs/dbraw/zinc/89/16/04/567891604.db2.gz WDTWUBOMMXEIHP-GHMZBOCLSA-N 0 3 270.214 3.973 50 0 CHAAHN COc1cccc(CNCCC2=CCCCC2)c1OC ZINC000013723727 567867336 /nfs/dbraw/zinc/86/73/36/567867336.db2.gz BAXHQNXNJOWUMQ-UHFFFAOYSA-N 0 3 275.392 3.684 50 0 CHAAHN c1cn(C2CCN(Cc3ccccn3)CC2)c2ccccc12 ZINC000019045860 567876954 /nfs/dbraw/zinc/87/69/54/567876954.db2.gz MGBMPPPTIOOZPR-UHFFFAOYSA-N 0 3 291.398 3.873 50 0 CHAAHN Clc1ccccc1CN1CCN(C2CCCCC2)CC1 ZINC000019789057 567879107 /nfs/dbraw/zinc/87/91/07/567879107.db2.gz NGKRWFPGCVYVKA-UHFFFAOYSA-N 0 3 292.854 3.790 50 0 CHAAHN Fc1ccc(Br)cc1CNC1CCCC1 ZINC000019883310 567879835 /nfs/dbraw/zinc/87/98/35/567879835.db2.gz KDJWKPKFBNUJET-UHFFFAOYSA-N 0 3 272.161 3.620 50 0 CHAAHN Fc1ccccc1NC1CCN(Cc2ccccc2)CC1 ZINC000004612716 567884257 /nfs/dbraw/zinc/88/42/57/567884257.db2.gz IJZSOVIRNVAJRZ-UHFFFAOYSA-N 0 3 284.378 3.902 50 0 CHAAHN CCC(=O)Nc1ccc([C@@H](C)NCc2cccs2)cc1 ZINC000030640849 567884686 /nfs/dbraw/zinc/88/46/86/567884686.db2.gz CPRYWINAEVIQTQ-GFCCVEGCSA-N 0 3 288.416 3.947 50 0 CHAAHN C[C@H](CN1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000000757444 567887886 /nfs/dbraw/zinc/88/78/86/567887886.db2.gz CPVJFTNVBNYKLO-MRXNPFEDSA-N 0 3 298.405 3.751 50 0 CHAAHN c1csc(CN2CCC(c3ccncc3)CC2)c1 ZINC000065462020 567899284 /nfs/dbraw/zinc/89/92/84/567899284.db2.gz IRUICLHVLNLCGG-UHFFFAOYSA-N 0 3 258.390 3.523 50 0 CHAAHN CC[C@H](C)NCc1cccnc1N(C)Cc1ccccc1 ZINC000067642422 567900125 /nfs/dbraw/zinc/90/01/25/567900125.db2.gz LIYHYXPWDJLJHT-HNNXBMFYSA-N 0 3 283.419 3.606 50 0 CHAAHN CC(C)c1oc([C@H]2CCCN2)nc1-c1ccccc1 ZINC000068576846 567901240 /nfs/dbraw/zinc/90/12/40/567901240.db2.gz ZJIIRBDGXAVPMC-CYBMUJFWSA-N 0 3 256.349 3.890 50 0 CHAAHN Cc1ccc(SCCN(C)Cc2ccc(F)cc2)nc1 ZINC000097139645 567904893 /nfs/dbraw/zinc/90/48/93/567904893.db2.gz HHSMMXIFPCJLDW-UHFFFAOYSA-N 0 3 290.407 3.753 50 0 CHAAHN C[C@H](c1ccc(-c2n[nH]c(C3CCCC3)n2)cc1)N(C)C ZINC000096151449 567909868 /nfs/dbraw/zinc/90/98/68/567909868.db2.gz LLIRQLJXMZRWTH-GFCCVEGCSA-N 0 3 284.407 3.752 50 0 CHAAHN CN(Cc1ccc([C@H]2CCCCO2)o1)C1CCSCC1 ZINC000097570881 567910986 /nfs/dbraw/zinc/91/09/86/567910986.db2.gz CDTOAPLFAHEXBN-OAHLLOKOSA-N 0 3 295.448 3.849 50 0 CHAAHN NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 ZINC000104415093 567917007 /nfs/dbraw/zinc/91/70/07/567917007.db2.gz GRWLSDLGODCXPL-UHFFFAOYSA-N 0 3 269.678 3.869 50 0 CHAAHN CN(C)Cc1cccc(Cc2cccc(Cl)c2)c1 ZINC000000346556 567927038 /nfs/dbraw/zinc/92/70/38/567927038.db2.gz CCEPELIBLFPAET-UHFFFAOYSA-N 0 3 259.780 3.992 50 0 CHAAHN CC(C)C[C@@H](CN(C)C)NCc1cnc(C(C)(C)C)s1 ZINC000062838958 567944340 /nfs/dbraw/zinc/94/43/40/567944340.db2.gz JYCSABBOWQBSAU-ZDUSSCGKSA-N 0 3 297.512 3.507 50 0 CHAAHN C[C@@H](CN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019849846 567944728 /nfs/dbraw/zinc/94/47/28/567944728.db2.gz RIIITVMIXRZTNP-SFHVURJKSA-N 0 3 294.442 3.608 50 0 CHAAHN c1cc(CNC[C@H](c2ccccc2)N2CCCC2)cs1 ZINC000020096476 567945379 /nfs/dbraw/zinc/94/53/79/567945379.db2.gz YZWYXQPSHLRYFH-QGZVFWFLSA-N 0 3 286.444 3.675 50 0 CHAAHN CCCC[C@@H](CC)CN1CCc2[nH]nc(C3CC3)c2C1 ZINC000048488343 567946576 /nfs/dbraw/zinc/94/65/76/567946576.db2.gz AGWVLOOTXYONRL-CYBMUJFWSA-N 0 3 275.440 3.862 50 0 CHAAHN CCCC[C@@H](CC)CN1CCc2n[nH]c(C3CC3)c2C1 ZINC000048488343 567946578 /nfs/dbraw/zinc/94/65/78/567946578.db2.gz AGWVLOOTXYONRL-CYBMUJFWSA-N 0 3 275.440 3.862 50 0 CHAAHN c1nc(C2CCCCC2)ncc1CN1CCCCCC1 ZINC000223039842 567949245 /nfs/dbraw/zinc/94/92/45/567949245.db2.gz XHVQAQKIAJWADG-UHFFFAOYSA-N 0 3 273.424 3.900 50 0 CHAAHN Cc1n[nH]c(C)c1CN[C@@H]1CCCCc2ccccc21 ZINC000225479973 567953629 /nfs/dbraw/zinc/95/36/29/567953629.db2.gz MUNOEHIQUHMUQD-QGZVFWFLSA-N 0 3 269.392 3.584 50 0 CHAAHN CO[C@H](c1ccccc1)[C@H](C)NCc1sc(C)nc1C ZINC000225621906 567954199 /nfs/dbraw/zinc/95/41/99/567954199.db2.gz OTSZKCCKRPYESI-LRDDRELGSA-N 0 3 290.432 3.626 50 0 CHAAHN CO[C@@H](c1ccccc1)[C@@H](C)NCc1sc(C)nc1C ZINC000225621935 567954444 /nfs/dbraw/zinc/95/44/44/567954444.db2.gz OTSZKCCKRPYESI-MLGOLLRUSA-N 0 3 290.432 3.626 50 0 CHAAHN c1ccc(Oc2cccc(CNC[C@@H]3CCCO3)c2)cc1 ZINC000000810263 570309795 /nfs/dbraw/zinc/30/97/95/570309795.db2.gz HIQAVZNLSCKULU-SFHVURJKSA-N 0 3 283.371 3.748 50 0 CHAAHN Cc1cnccc1CN1CCC(c2ccccc2)CC1 ZINC000244778672 570320746 /nfs/dbraw/zinc/32/07/46/570320746.db2.gz PUNINRDAXJMOLZ-UHFFFAOYSA-N 0 3 266.388 3.770 50 0 CHAAHN CC[C@H]1CN(C)c2ccccc2CN1Cc1c(C)noc1C ZINC000079073989 570396476 /nfs/dbraw/zinc/39/64/76/570396476.db2.gz KGKSYBMVFVJRBR-INIZCTEOSA-N 0 3 299.418 3.522 50 0 CHAAHN C[C@H](NCc1cnc(-c2ccco2)nc1)C1=CCCCC1 ZINC000952966447 1132016683 /nfs/dbraw/zinc/01/66/83/1132016683.db2.gz TZUCGKPXNUMJFF-ZDUSSCGKSA-N 0 3 283.375 3.715 50 0 CHAAHN C[C@H](CN1[C@H](C)CCC[C@@H]1C)OC(=O)c1cccc(F)c1 ZINC000003904966 230367862 /nfs/dbraw/zinc/36/78/62/230367862.db2.gz UBNHRPVZGCZIMM-HZSPNIEDSA-N 0 3 293.382 3.634 50 0 CHAAHN CCN1CC=C(c2ccccc2)[C@H](C(=O)OC2CCCC2)C1 ZINC000095918272 185030880 /nfs/dbraw/zinc/03/08/80/185030880.db2.gz AGFUTASWCUDNBN-GOSISDBHSA-N 0 3 299.414 3.508 50 0 CHAAHN Cc1cccc(-n2ccnc2SC[C@@H](C)N(C)C)c1C ZINC000095941653 185036105 /nfs/dbraw/zinc/03/61/05/185036105.db2.gz SWVCJOVIMTZETG-CYBMUJFWSA-N 0 3 289.448 3.531 50 0 CHAAHN C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000095968126 185047014 /nfs/dbraw/zinc/04/70/14/185047014.db2.gz AJWXTGBRHMKPDP-ADLMAVQZSA-N 0 3 287.856 3.538 50 0 CHAAHN Cc1nn(C(C)C)c(C)c1[C@H](C)NC[C@@H]1CCCS1 ZINC000095969257 185048187 /nfs/dbraw/zinc/04/81/87/185048187.db2.gz NBHVALBJZYFCFB-FZMZJTMJSA-N 0 3 281.469 3.627 50 0 CHAAHN Cc1nc2ccccc2c(NCC(=O)NC(C)C)c1C(C)C ZINC000096006352 185062659 /nfs/dbraw/zinc/06/26/59/185062659.db2.gz SDGXSMUAUXWGEI-UHFFFAOYSA-N 0 3 299.418 3.603 50 0 CHAAHN Cc1nn(C(C)C)cc1-c1ccc(CN(C)C)cc1 ZINC000096139360 185105511 /nfs/dbraw/zinc/10/55/11/185105511.db2.gz QAHJRENNKAMVMF-UHFFFAOYSA-N 0 3 257.381 3.501 50 0 CHAAHN COC[C@H](N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccco1 ZINC000127495628 187310367 /nfs/dbraw/zinc/31/03/67/187310367.db2.gz DCLWKIWDAOWICU-SRVKXCTJSA-N 0 3 291.313 3.678 50 0 CHAAHN Cc1cc(C)cc([C@H](C)NCc2ccc(CO)cc2)c1 ZINC000183106087 189346933 /nfs/dbraw/zinc/34/69/33/189346933.db2.gz RLYNKEQUNZVVJA-HNNXBMFYSA-N 0 3 269.388 3.647 50 0 CHAAHN COC[C@H](C)NCc1cccc(Oc2ccccc2)c1 ZINC000004700154 170001458 /nfs/dbraw/zinc/00/14/58/170001458.db2.gz OKLVOSIUWRAEJX-AWEZNQCLSA-N 0 3 271.360 3.603 50 0 CHAAHN CCN(Cc1nnc(-c2ccccc2)o1)C1CCCCC1 ZINC000004810618 170021575 /nfs/dbraw/zinc/02/15/75/170021575.db2.gz ZVNQJIHRXXYSCG-UHFFFAOYSA-N 0 3 285.391 3.891 50 0 CHAAHN Cc1cc(C(C)(C)C)ccc1OCCN1CCCC1 ZINC000004845178 170029742 /nfs/dbraw/zinc/02/97/42/170029742.db2.gz UXGQGAYTSOWVHY-UHFFFAOYSA-N 0 3 261.409 3.767 50 0 CHAAHN COc1ccc(-c2ccc(CNC3CC3)o2)cc1Cl ZINC000004942958 170043583 /nfs/dbraw/zinc/04/35/83/170043583.db2.gz PNECKVWZNNCNMG-UHFFFAOYSA-N 0 3 277.751 3.861 50 0 CHAAHN C/C=C/c1ccc(OCCN2CCCCCC2)c(OC)c1 ZINC000004978709 170048162 /nfs/dbraw/zinc/04/81/62/170048162.db2.gz FKJXTXILJMZTJD-FPYGCLRLSA-N 0 3 289.419 3.983 50 0 CHAAHN c1ccc2cc(OCCN3CCCCC3)ccc2c1 ZINC000004989871 170050251 /nfs/dbraw/zinc/05/02/51/170050251.db2.gz LQYBHIRHEDYYDW-UHFFFAOYSA-N 0 3 255.361 3.705 50 0 CHAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(C)cc1 ZINC000005683798 170128488 /nfs/dbraw/zinc/12/84/88/170128488.db2.gz PCVORMWCOXVSHT-SFHVURJKSA-N 0 3 292.382 3.720 50 0 CHAAHN CCOc1cccc(CNCc2ccc(C)cc2)c1 ZINC000006697728 170226879 /nfs/dbraw/zinc/22/68/79/170226879.db2.gz NCJSCUUYDKERFB-UHFFFAOYSA-N 0 3 255.361 3.684 50 0 CHAAHN CNCc1ccc(-c2ccc(Br)cc2C)o1 ZINC000006747631 170239885 /nfs/dbraw/zinc/23/98/85/170239885.db2.gz GUIUIKPNLROQRG-UHFFFAOYSA-N 0 3 280.165 3.737 50 0 CHAAHN CC(C)OCCCNCc1csc(-c2ccccc2)n1 ZINC000008235692 170326288 /nfs/dbraw/zinc/32/62/88/170326288.db2.gz ZTOJDLRZWXPLMU-UHFFFAOYSA-N 0 3 290.432 3.715 50 0 CHAAHN CSc1ccc(CNCc2ccc(F)cc2)cc1 ZINC000008496868 170338202 /nfs/dbraw/zinc/33/82/02/170338202.db2.gz BURUYGRWDWMVGZ-UHFFFAOYSA-N 0 3 261.365 3.837 50 0 CHAAHN Cc1ccc(C)c(OCCCCNCc2ccco2)c1 ZINC000008749820 170354475 /nfs/dbraw/zinc/35/44/75/170354475.db2.gz NICWMLGRJZQHJM-UHFFFAOYSA-N 0 3 273.376 3.845 50 0 CHAAHN c1[nH]c2ccccc2c1[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000020757826 171271547 /nfs/dbraw/zinc/27/15/47/171271547.db2.gz ZWNGOYWZUZEHQG-GOSISDBHSA-N 0 3 287.366 3.884 50 0 biogenic CHAAHN CCCN[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000037762131 173689325 /nfs/dbraw/zinc/68/93/25/173689325.db2.gz GMWHHVFUOYFQOD-MRXNPFEDSA-N 0 3 258.340 3.618 50 0 CHAAHN Cc1noc(C)c1CN1CCC[C@H]1c1cccs1 ZINC000044871235 175268583 /nfs/dbraw/zinc/26/85/83/175268583.db2.gz BJLCPHUITFRCGN-ZDUSSCGKSA-N 0 3 262.378 3.690 50 0 CHAAHN Cc1ccc([C@@H](C)CCN2CC(c3ccccn3)C2)o1 ZINC000072169156 176332168 /nfs/dbraw/zinc/33/21/68/176332168.db2.gz LPZOEIHITLVMOB-ZDUSSCGKSA-N 0 3 270.376 3.576 50 0 CHAAHN Cc1[nH]c2c(cc(C)cc2CNCc2cccnc2)c1C ZINC000072274487 176356048 /nfs/dbraw/zinc/35/60/48/176356048.db2.gz XJRIWPNIXQUFBL-UHFFFAOYSA-N 0 3 279.387 3.778 50 0 CHAAHN Cc1cccc(Cl)c1OCCCNCc1ccco1 ZINC000075273469 176680577 /nfs/dbraw/zinc/68/05/77/176680577.db2.gz ROEKUFBDFHXTMT-UHFFFAOYSA-N 0 3 279.767 3.800 50 0 CHAAHN COc1ccc(CN[C@@H]2C[C@@H](C)c3ccccc32)cc1O ZINC000078553788 177353935 /nfs/dbraw/zinc/35/39/35/177353935.db2.gz YVFRZIVDPQVFBE-MLGOLLRUSA-N 0 3 283.371 3.739 50 0 CHAAHN CCOc1ccccc1CNCCc1ccccc1F ZINC000019871749 521503071 /nfs/dbraw/zinc/50/30/71/521503071.db2.gz BYFQJAKLUKGCKX-UHFFFAOYSA-N 0 3 273.351 3.557 50 0 CHAAHN CCN1CCC[C@H]1CNCc1ccc(Cl)cc1Cl ZINC000019371044 567877913 /nfs/dbraw/zinc/87/79/13/567877913.db2.gz LGRBYCDQOCKYAU-ZDUSSCGKSA-N 0 3 287.234 3.567 50 0 CHAAHN CC(=O)c1sccc1-c1ccc(CN(C)C)cc1 ZINC000426640603 566823338 /nfs/dbraw/zinc/82/33/38/566823338.db2.gz ZDDFYAJTFKWSME-UHFFFAOYSA-N 0 3 259.374 3.679 50 0 CHAAHN CN(CCn1cc(-c2ccccc2)cn1)Cc1ccccc1 ZINC000075105647 566935521 /nfs/dbraw/zinc/93/55/21/566935521.db2.gz SBLXZHRZXBRVLI-UHFFFAOYSA-N 0 3 291.398 3.682 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CN(C)C(C)(C)CO)o1 ZINC000092507879 566970271 /nfs/dbraw/zinc/97/02/71/566970271.db2.gz LKFJVOXYVKGDDQ-UHFFFAOYSA-N 0 3 291.366 3.597 50 0 CHAAHN CC(C)c1nnc(-c2ccc([C@H](C)N(C)C)cc2)s1 ZINC000426722664 566991270 /nfs/dbraw/zinc/99/12/70/566991270.db2.gz QMOZCGQVQQLNHI-NSHDSACASA-N 0 3 275.421 3.951 50 0 CHAAHN CC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1C ZINC000036104442 566995135 /nfs/dbraw/zinc/99/51/35/566995135.db2.gz OZRXTOJMDPWTGY-IBGZPJMESA-N 0 3 283.415 3.768 50 0 CHAAHN Cc1noc(C)c1CN[C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000065479308 567007474 /nfs/dbraw/zinc/00/74/74/567007474.db2.gz QANRNMUWCPZKAL-HFBAOOFYSA-N 0 3 270.376 3.573 50 0 CHAAHN Cc1n[nH]cc1CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000036975527 567010433 /nfs/dbraw/zinc/01/04/33/567010433.db2.gz SGDPLKHNXMFUKV-HNNXBMFYSA-N 0 3 277.799 3.858 50 0 CHAAHN C[C@@H]1CC[C@H](CNC2(c3ccc(F)cc3F)CCCC2)O1 ZINC000170608591 567014265 /nfs/dbraw/zinc/01/42/65/567014265.db2.gz PVOVHZVENKVSNS-TZMCWYRMSA-N 0 3 295.373 3.891 50 0 CHAAHN c1ccc2c(c1)nc1c(c2NCc2cccnc2)CCC1 ZINC000000122797 567034647 /nfs/dbraw/zinc/03/46/47/567034647.db2.gz KGKSYNMCYWYGFF-UHFFFAOYSA-N 0 3 275.355 3.731 50 0 CHAAHN CCc1ccc2oc(=O)cc(CN3CCCC[C@@H]3C)c2c1 ZINC000002352817 567103261 /nfs/dbraw/zinc/10/32/61/567103261.db2.gz CJDJHMYQTVCDAS-ZDUSSCGKSA-N 0 3 285.387 3.730 50 0 biogenic CHAAHN COCC[C@@H](NCc1cccs1)c1ccc(F)cc1 ZINC000095419356 567130689 /nfs/dbraw/zinc/13/06/89/567130689.db2.gz VRBAOFCXJTZLIS-OAHLLOKOSA-N 0 3 279.380 3.755 50 0 CHAAHN COc1ccc([C@@H](NCc2cccnc2)C(C)C)cc1 ZINC000032102289 567187504 /nfs/dbraw/zinc/18/75/04/567187504.db2.gz CMZRPAFWHBYWIY-KRWDZBQOSA-N 0 3 270.376 3.577 50 0 CHAAHN c1ccc2sc(SCCN3CCCCC3)nc2c1 ZINC000000175194 567821337 /nfs/dbraw/zinc/82/13/37/567821337.db2.gz YMQOWFMDGBSSAX-UHFFFAOYSA-N 0 3 278.446 3.874 50 0 CHAAHN COc1cccc(CN[C@H]2CCCc3ccccc32)c1OC ZINC000000228071 567822326 /nfs/dbraw/zinc/82/23/26/567822326.db2.gz BVXPLFANJOANFL-KRWDZBQOSA-N 0 3 297.398 3.871 50 0 CHAAHN CN(C)CCO[C@@H]1c2ccccc2CSc2ccccc21 ZINC000000332420 567825661 /nfs/dbraw/zinc/82/56/61/567825661.db2.gz ILKVRKZECSOYMM-GOSISDBHSA-N 0 3 299.439 3.960 50 0 CHAAHN CCn1c2ccccc2c2cc(CN[C@@H](C)COC)ccc21 ZINC000004008056 567854559 /nfs/dbraw/zinc/85/45/59/567854559.db2.gz XTHWYVUJHXFKLK-AWEZNQCLSA-N 0 3 296.414 3.939 50 0 CHAAHN COc1cc(CNCc2ccccc2)cc(Cl)c1OC ZINC000004657534 567858992 /nfs/dbraw/zinc/85/89/92/567858992.db2.gz CQTFTVQWSBEAHG-UHFFFAOYSA-N 0 3 291.778 3.647 50 0 CHAAHN C[C@@H]1CCCC[C@H]1NCc1nnc(-c2cccc(F)c2)o1 ZINC000097377475 567860456 /nfs/dbraw/zinc/86/04/56/567860456.db2.gz DUBTYBVPTYPING-BXUZGUMPSA-N 0 3 289.354 3.544 50 0 CHAAHN Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 ZINC000010434024 567861570 /nfs/dbraw/zinc/86/15/70/567861570.db2.gz LEDCLSJCVCSXHM-UHFFFAOYSA-N 0 3 294.398 3.843 50 0 CHAAHN c1ccc(CC[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000012449463 567863357 /nfs/dbraw/zinc/86/33/57/567863357.db2.gz VUSCDETVURUBAS-SFHVURJKSA-N 0 3 280.415 3.926 50 0 CHAAHN Cc1c(C)c(C)c(CSC2=NC[C@H](C)N2)c(C)c1C ZINC000013464780 567866493 /nfs/dbraw/zinc/86/64/93/567866493.db2.gz CCMARQZPNDFALT-VIFPVBQESA-N 0 3 276.449 3.810 50 0 CHAAHN Fc1ccccc1CN1CCN(C2CCCCCC2)CC1 ZINC000019359621 567877249 /nfs/dbraw/zinc/87/72/49/567877249.db2.gz GJVQQFLJKSBZDK-UHFFFAOYSA-N 0 3 290.426 3.666 50 0 CHAAHN COc1cc2c(cc1OC)[C@@H](c1ccccc1)NC(C)(C)C2 ZINC000019640164 567878487 /nfs/dbraw/zinc/87/84/87/567878487.db2.gz UOIZCSYSAXLUDJ-GOSISDBHSA-N 0 3 297.398 3.718 50 0 CHAAHN CC[C@@H](C)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019889523 567879658 /nfs/dbraw/zinc/87/96/58/567879658.db2.gz KFQCJYMXNGJCIP-MRXNPFEDSA-N 0 3 282.431 3.756 50 0 CHAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccccc1C ZINC000019957845 567879939 /nfs/dbraw/zinc/87/99/39/567879939.db2.gz ODSGGAAYPQHRQF-GOSISDBHSA-N 0 3 292.382 3.720 50 0 CHAAHN CCOc1ccc([C@H](N)c2cccc(Cl)c2)cc1 ZINC000019967421 567880469 /nfs/dbraw/zinc/88/04/69/567880469.db2.gz JNZWYHLQVPTSOU-HNNXBMFYSA-N 0 3 261.752 3.787 50 0 CHAAHN N[C@@H](c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000019967976 567880490 /nfs/dbraw/zinc/88/04/90/567880490.db2.gz SDMAZUVUXSCFFK-INIZCTEOSA-N 0 3 289.762 3.549 50 0 CHAAHN N[C@@H](c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl ZINC000019970949 567880613 /nfs/dbraw/zinc/88/06/13/567880613.db2.gz QDAAUAUXWSKBJM-HNNXBMFYSA-N 0 3 294.181 3.976 50 0 CHAAHN COc1ccc(CN2CC[C@@H](c3ccccc3)C2)cc1F ZINC000069873640 567881089 /nfs/dbraw/zinc/88/10/89/567881089.db2.gz ZKHSTGOFJVAAMU-MRXNPFEDSA-N 0 3 285.362 3.824 50 0 CHAAHN C[C@H]1CN(C2CCC(c3ccccc3)CC2)C[C@H](C)O1 ZINC000023283002 567888681 /nfs/dbraw/zinc/88/86/81/567888681.db2.gz YWHAEDFZOJVVRV-QEFXCSQDSA-N 0 3 273.420 3.822 50 0 CHAAHN CC(C)(C)NCc1ccc(Br)cc1Cl ZINC000037927222 567890236 /nfs/dbraw/zinc/89/02/36/567890236.db2.gz XFAUHEOVDFIIIL-UHFFFAOYSA-N 0 3 276.605 3.991 50 0 CHAAHN CCCCCN(Cc1cc(C)c(C(=O)OC)o1)C(C)C ZINC000059350232 567896263 /nfs/dbraw/zinc/89/62/63/567896263.db2.gz FAVQMQBBTOGQEN-UHFFFAOYSA-N 0 3 281.396 3.775 50 0 CHAAHN Cc1cc([C@@H]2CCCN2Cc2ccc(C)c(C)c2)on1 ZINC000064666822 567898040 /nfs/dbraw/zinc/89/80/40/567898040.db2.gz QAGWTDYZUGIEES-INIZCTEOSA-N 0 3 270.376 3.937 50 0 CHAAHN Cc1ccsc1CN1CCC[C@H]1c1ccccn1 ZINC000065387433 567898437 /nfs/dbraw/zinc/89/84/37/567898437.db2.gz MBLAOMIEOWHZBV-AWEZNQCLSA-N 0 3 258.390 3.789 50 0 CHAAHN C[C@H](Cc1ccccn1)N(C)Cc1cc2ccccc2o1 ZINC000065381940 567898690 /nfs/dbraw/zinc/89/86/90/567898690.db2.gz RHTQLJVUFOVOSB-CQSZACIVSA-N 0 3 280.371 3.891 50 0 CHAAHN C(=C/c1ccco1)\CN1CCC(c2ccncc2)CC1 ZINC000065395811 567899414 /nfs/dbraw/zinc/89/94/14/567899414.db2.gz WCGRSPHWNYTRFT-HNQUOIGGSA-N 0 3 268.360 3.567 50 0 CHAAHN CC(C)OC[C@@H](C)NCc1csc2ccccc12 ZINC000337335719 567905622 /nfs/dbraw/zinc/90/56/22/567905622.db2.gz LQXWFMMPPRWRKD-GFCCVEGCSA-N 0 3 263.406 3.804 50 0 CHAAHN CC1(NCc2ccc(Oc3ccccc3)o2)CCOCC1 ZINC000097236055 567905721 /nfs/dbraw/zinc/90/57/21/567905721.db2.gz UPXZVVSTEJDFCV-UHFFFAOYSA-N 0 3 287.359 3.731 50 0 CHAAHN COc1ccc2[nH]c3c(c2c1)CCN1C[C@@H]2CCCC[C@@H]2[C@H]31 ZINC000247937544 567928402 /nfs/dbraw/zinc/92/84/02/567928402.db2.gz HKCFIODYAGNXJQ-PTAUBWNISA-N 0 3 296.414 3.896 50 0 biogenic CHAAHN CC(C)C[C@@H](N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000020027996 567945330 /nfs/dbraw/zinc/94/53/30/567945330.db2.gz OKTLQXOVKNSJAJ-GOSISDBHSA-N 0 3 294.398 3.570 50 0 CHAAHN FC(F)(F)Oc1ccc(CN2CCCCC2)cc1 ZINC000023280682 567948655 /nfs/dbraw/zinc/94/86/55/567948655.db2.gz NTWRZYAZBPXMLC-UHFFFAOYSA-N 0 3 259.271 3.571 50 0 CHAAHN COc1ccc(CN(C)[C@H]2C[C@@H]2c2ccccc2)c(OC)c1 ZINC000225542420 567954090 /nfs/dbraw/zinc/95/40/90/567954090.db2.gz KIQHISXRKJPWKZ-MSOLQXFVSA-N 0 3 297.398 3.692 50 0 CHAAHN CNCc1c(F)cccc1Oc1ccc(F)cc1F ZINC000014807376 570224883 /nfs/dbraw/zinc/22/48/83/570224883.db2.gz BCGJOIPZHKSWBC-UHFFFAOYSA-N 0 3 267.250 3.616 50 0 CHAAHN Cc1ccccc1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000215532878 570303328 /nfs/dbraw/zinc/30/33/28/570303328.db2.gz YKOLNKUKIPMKQX-QGZVFWFLSA-N 0 3 266.388 3.770 50 0 CHAAHN Clc1ccc(CN2CCCC[C@@H]2CCn2ccnc2)o1 ZINC000215704073 570303644 /nfs/dbraw/zinc/30/36/44/570303644.db2.gz GGMXHWUVDADWEX-CYBMUJFWSA-N 0 3 293.798 3.574 50 0 CHAAHN CN(C)Cc1csc(CN2CC[C@@H]2c2ccccc2)c1 ZINC000215829283 570304313 /nfs/dbraw/zinc/30/43/13/570304313.db2.gz WJAKBOWUTYVKIC-QGZVFWFLSA-N 0 3 286.444 3.757 50 0 CHAAHN CC1=CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000216133820 570305262 /nfs/dbraw/zinc/30/52/62/570305262.db2.gz YSURXHQMGQOROQ-UHFFFAOYSA-N 0 3 294.398 3.813 50 0 CHAAHN CCn1ccc2c1cccc2CN1CC(c2ccccn2)C1 ZINC000252494911 570322797 /nfs/dbraw/zinc/32/27/97/570322797.db2.gz OHTFNYCUVBJUGV-UHFFFAOYSA-N 0 3 291.398 3.656 50 0 CHAAHN O[C@H](CNCc1ccc2ccccc2c1)c1ccccc1 ZINC000035111694 570339429 /nfs/dbraw/zinc/33/94/29/570339429.db2.gz DVNIZVFLKYHUBG-LJQANCHMSA-N 0 3 277.367 3.663 50 0 CHAAHN Cc1cnc([C@@H](N[C@H](C)CC2CC2)C2CC2)s1 ZINC000089702395 570368137 /nfs/dbraw/zinc/36/81/37/570368137.db2.gz ZIJNHJWXOBVNAI-RNCFNFMXSA-N 0 3 250.411 3.681 50 0 CHAAHN C[C@H]1C[C@H](c2ccsc2)CN1Cc1ccncc1 ZINC000095401542 570371762 /nfs/dbraw/zinc/37/17/62/570371762.db2.gz DJPDQXZFCVTWSO-WFASDCNBSA-N 0 3 258.390 3.521 50 0 CHAAHN C[C@H]1CSc2ccccc2[C@@H]1NCc1cccnc1 ZINC000095427019 570371814 /nfs/dbraw/zinc/37/18/14/570371814.db2.gz RACKREXTFQOYNZ-BLLLJJGKSA-N 0 3 270.401 3.654 50 0 CHAAHN C[C@H]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000000279998 570382739 /nfs/dbraw/zinc/38/27/39/570382739.db2.gz XGRCNMHFPNLYAF-LSDHHAIUSA-N 0 3 276.399 3.526 50 0 CHAAHN Fc1ccccc1N1CCN(CC2CCCCC2)CC1 ZINC000000278285 570382872 /nfs/dbraw/zinc/38/28/72/570382872.db2.gz RKQADKJEAHNBPK-UHFFFAOYSA-N 0 3 276.399 3.528 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CN(C)CC[C@H](C)O)o1 ZINC000093481234 570396184 /nfs/dbraw/zinc/39/61/84/570396184.db2.gz NFCKAVWELHQLGA-LBPRGKRZSA-N 0 3 291.366 3.597 50 0 CHAAHN Cc1ccc2[nH]cc(-c3cccc(N4CCNCC4)c3)c2c1 ZINC000067964919 570400915 /nfs/dbraw/zinc/40/09/15/570400915.db2.gz RIMSRHZZWBHPLZ-UHFFFAOYSA-N 0 3 291.398 3.553 50 0 CHAAHN Cc1ccc(C)c(CN2CCN(Cc3ccccc3)CC2)c1 ZINC000019537031 1129845993 /nfs/dbraw/zinc/84/59/93/1129845993.db2.gz AHXXUJWKYVDELZ-UHFFFAOYSA-N 0 3 294.442 3.621 50 0 CHAAHN CC(C)Oc1ccc([C@@H](C)NCc2cccc(CO)c2)cc1 ZINC000095967745 185046300 /nfs/dbraw/zinc/04/63/00/185046300.db2.gz ANNWNAUGPYXHRA-OAHLLOKOSA-N 0 3 299.414 3.817 50 0 CHAAHN C[C@@H](CN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000004980576 136554625 /nfs/dbraw/zinc/55/46/25/136554625.db2.gz QLFDXJUIELKWRJ-KRWDZBQOSA-N 0 3 280.415 3.612 50 0 CHAAHN C[C@@H](NCCc1c[nH]c2ccccc12)c1nccs1 ZINC000086507936 179303662 /nfs/dbraw/zinc/30/36/62/179303662.db2.gz CFKNXLDTVWWQQG-LLVKDONJSA-N 0 3 271.389 3.518 50 0 CHAAHN Fc1ccc([C@@H](CC(F)(F)F)NC2CCOCC2)cc1 ZINC000090969053 180077183 /nfs/dbraw/zinc/07/71/83/180077183.db2.gz VWFBAXGCNDTYQN-CYBMUJFWSA-N 0 3 291.288 3.588 50 0 CHAAHN C[C@@H](NCc1cncc(Br)c1)c1ccccc1 ZINC000163817677 533467061 /nfs/dbraw/zinc/46/70/61/533467061.db2.gz YEUMDZFDFWWZDW-LLVKDONJSA-N 0 3 291.192 3.695 50 0 CHAAHN Cc1ccc(C(C)C)c(OCCNCc2ccco2)c1 ZINC000003003405 169849299 /nfs/dbraw/zinc/84/92/99/169849299.db2.gz DDHFNKAVRVJNDC-UHFFFAOYSA-N 0 3 273.376 3.880 50 0 CHAAHN COC[C@@H](C)NCc1cccc(Oc2ccccc2)c1 ZINC000004700155 170001419 /nfs/dbraw/zinc/00/14/19/170001419.db2.gz OKLVOSIUWRAEJX-CQSZACIVSA-N 0 3 271.360 3.603 50 0 CHAAHN CC1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1 ZINC000004889362 170036481 /nfs/dbraw/zinc/03/64/81/170036481.db2.gz GPNLJAZAPSEYDT-IRXDYDNUSA-N 0 3 267.372 3.603 50 0 CHAAHN Cc1ccc(OCCN2CCCCCC2)c(Cl)c1 ZINC000004978694 170048042 /nfs/dbraw/zinc/04/80/42/170048042.db2.gz JVCQCNASASCCSP-UHFFFAOYSA-N 0 3 267.800 3.903 50 0 CHAAHN O=C(/C=C\c1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000006414456 170199625 /nfs/dbraw/zinc/19/96/25/170199625.db2.gz NYALWKAZHXAEKE-SREVYHEPSA-N 0 3 295.260 3.628 50 0 CHAAHN COc1ccc(CNCc2ccc(Cl)cc2)cc1 ZINC000006543392 170212225 /nfs/dbraw/zinc/21/22/25/170212225.db2.gz GQNHILDWJKZSCN-UHFFFAOYSA-N 0 3 261.752 3.638 50 0 CHAAHN COc1ccc(Sc2ccccc2CN(C)C)cc1 ZINC000006637833 170220766 /nfs/dbraw/zinc/22/07/66/170220766.db2.gz QPEXKHAYIOIQOH-UHFFFAOYSA-N 0 3 273.401 3.908 50 0 CHAAHN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCCCCC1 ZINC000006882321 170252224 /nfs/dbraw/zinc/25/22/24/170252224.db2.gz JLIFWPGIJMURQD-GFCCVEGCSA-N 0 3 280.799 3.543 50 0 CHAAHN Cc1nc(-c2ccc(N[C@H]3CN4CCC3CC4)cc2)cs1 ZINC000020441736 171205125 /nfs/dbraw/zinc/20/51/25/171205125.db2.gz DNGWBFXECJFYDW-INIZCTEOSA-N 0 3 299.443 3.625 50 0 CHAAHN c1[nH]c2ccccc2c1[C@@H]1NCCc2c3ccccc3[nH]c21 ZINC000020757831 171272326 /nfs/dbraw/zinc/27/23/26/171272326.db2.gz ZWNGOYWZUZEHQG-SFHVURJKSA-N 0 3 287.366 3.884 50 0 biogenic CHAAHN N[C@@H](c1ccc(Cl)cc1)[C@@H](N)c1ccc(Cl)cc1 ZINC000021303916 171301870 /nfs/dbraw/zinc/30/18/70/171301870.db2.gz HHPPUZSHKRJDIW-KBPBESRZSA-N 0 3 281.186 3.693 50 0 CHAAHN Cc1noc(C)c1[C@@H]1CCCN1Cc1cccc(C)c1 ZINC000021720183 171320509 /nfs/dbraw/zinc/32/05/09/171320509.db2.gz GCNNZQAHSQUNTB-INIZCTEOSA-N 0 3 270.376 3.937 50 0 CHAAHN C[C@H](NCC[C@H]1CCCO1)c1ccccc1Cl ZINC000038095406 174108641 /nfs/dbraw/zinc/10/86/41/174108641.db2.gz SDMYIDDJBLPLIS-NWDGAFQWSA-N 0 3 253.773 3.560 50 0 CHAAHN CCc1ccc(NC(=O)CN(CC(C)C)C(C)C)cc1 ZINC000040091283 174189385 /nfs/dbraw/zinc/18/93/85/174189385.db2.gz NFKUPPZTQKHNOP-UHFFFAOYSA-N 0 3 276.424 3.554 50 0 CHAAHN CSc1cccc([C@H](N)c2ccc(F)cc2F)c1 ZINC000071790724 176262746 /nfs/dbraw/zinc/26/27/46/176262746.db2.gz KOFHSJIHJGOATP-AWEZNQCLSA-N 0 3 265.328 3.735 50 0 CHAAHN Fc1ccc([C@H]2CCCCN2CCc2ccccn2)cc1 ZINC000072170456 176333243 /nfs/dbraw/zinc/33/32/43/176333243.db2.gz DZVRMRQGJVPLIS-GOSISDBHSA-N 0 3 284.378 3.990 50 0 CHAAHN Cc1cccc(C)c1[C@@H](OCCN(C)C)c1ccccc1 ZINC000044559816 328754434 /nfs/dbraw/zinc/75/44/34/328754434.db2.gz MDOKGWJPAAPILV-IBGZPJMESA-N 0 3 283.415 3.971 50 0 CHAAHN Cc1cc(C)c(C)c(OCCNCc2ccccc2)c1 ZINC000002824070 333056950 /nfs/dbraw/zinc/05/69/50/333056950.db2.gz PODKYEDAHNPAGP-UHFFFAOYSA-N 0 3 269.388 3.780 50 0 CHAAHN COc1ccc(CC[C@H](C)NCc2nc(C)cs2)cc1 ZINC000038091006 523984141 /nfs/dbraw/zinc/98/41/41/523984141.db2.gz CGXZAVWPEMGLRT-LBPRGKRZSA-N 0 3 290.432 3.571 50 0 CHAAHN CCCCCC[C@@H]1CCC[C@H]1NCc1ccno1 ZINC000170595406 567011220 /nfs/dbraw/zinc/01/12/20/567011220.db2.gz PRXZIFJVJZTLHL-UKRRQHHQSA-N 0 3 250.386 3.903 50 0 CHAAHN N[C@@H](c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000019415909 567877763 /nfs/dbraw/zinc/87/77/63/567877763.db2.gz YJRJMYZOAPKLFB-ZDUSSCGKSA-N 0 3 269.241 3.893 50 0 CHAAHN Cc1ccc(CNCCc2coc(-c3ccccc3)n2)o1 ZINC000075128317 566935747 /nfs/dbraw/zinc/93/57/47/566935747.db2.gz CLEXWAJCDKLTML-UHFFFAOYSA-N 0 3 282.343 3.575 50 0 CHAAHN CN(C(=N)N)c1ccc(/C=C2/C=Cc3ccccc32)cc1 ZINC000075284342 566940090 /nfs/dbraw/zinc/94/00/90/566940090.db2.gz YIURGICSUXDEDR-QINSGFPZSA-N 0 3 275.355 3.584 50 0 CHAAHN CCCCCC[C@H]1CCC[C@@H]1NCc1ccno1 ZINC000170595405 567012027 /nfs/dbraw/zinc/01/20/27/567012027.db2.gz PRXZIFJVJZTLHL-ZFWWWQNUSA-N 0 3 250.386 3.903 50 0 CHAAHN CC[C@H](NCc1cccnc1)c1ccc(OC(F)F)cc1 ZINC000089947820 567029237 /nfs/dbraw/zinc/02/92/37/567029237.db2.gz LEKLIHAZYSBIDE-HNNXBMFYSA-N 0 3 292.329 3.924 50 0 CHAAHN COc1cccc2cc([C@H](C)NCCc3ccccn3)oc21 ZINC000089904626 567030857 /nfs/dbraw/zinc/03/08/57/567030857.db2.gz XFENJZSDFKBCJU-ZDUSSCGKSA-N 0 3 296.370 3.730 50 0 CHAAHN Cc1ccsc1[C@H](C)NCc1ccc([S@](C)=O)cc1 ZINC000090221400 567032934 /nfs/dbraw/zinc/03/29/34/567032934.db2.gz CADFGZXNISJCCV-HXPMCKFVSA-N 0 3 293.457 3.645 50 0 CHAAHN Cc1nn(C)c(C)c1[C@@H](C)NCc1ccc(C)c(C)c1 ZINC000252489058 567058776 /nfs/dbraw/zinc/05/87/76/567058776.db2.gz JEDFGUIVWXBHLE-CYBMUJFWSA-N 0 3 271.408 3.505 50 0 CHAAHN Cc1nn(C)c(C)c1[C@H](C)NCc1ccc(C)cc1C ZINC000253422848 567098324 /nfs/dbraw/zinc/09/83/24/567098324.db2.gz CVQDQMKBXYWZOO-ZDUSSCGKSA-N 0 3 271.408 3.505 50 0 CHAAHN CCC[C@]12CC[C@H]3c4ccc(O)cc4CCN3[C@H]1CCC2=O ZINC000261361526 567118760 /nfs/dbraw/zinc/11/87/60/567118760.db2.gz KKAVQDMECOIUDA-LNLFQRSKSA-N 0 3 299.414 3.603 50 0 CHAAHN Cc1cc([C@H](C)NCC[S@@](=O)C(C)(C)C)c(C)s1 ZINC000095422601 567130627 /nfs/dbraw/zinc/13/06/27/567130627.db2.gz KPJPXWRRBNRULJ-VOJFVSQTSA-N 0 3 287.494 3.563 50 0 CHAAHN C[C@@H](NCCc1ccccc1F)c1cccnc1Cl ZINC000095419368 567130880 /nfs/dbraw/zinc/13/08/80/567130880.db2.gz NJTYQHWSUCRCJZ-LLVKDONJSA-N 0 3 278.758 3.767 50 0 CHAAHN CN(C)CC[C@](O)(c1ccccc1)c1ccccc1Cl ZINC000000057254 567817087 /nfs/dbraw/zinc/81/70/87/567817087.db2.gz WRCHFMBCVFFYEQ-KRWDZBQOSA-N 0 3 289.806 3.528 50 0 fda CHAAHN CCn1c2ccccc2c2cc(CN[C@H](C)COC)ccc21 ZINC000002380019 567845640 /nfs/dbraw/zinc/84/56/40/567845640.db2.gz XTHWYVUJHXFKLK-CQSZACIVSA-N 0 3 296.414 3.939 50 0 CHAAHN CN(CC(=O)Nc1ccccc1Cl)C1CCCCC1 ZINC000003278410 567851961 /nfs/dbraw/zinc/85/19/61/567851961.db2.gz QDPUSCWLCUYLJQ-UHFFFAOYSA-N 0 3 280.799 3.543 50 0 CHAAHN Cc1sc([C@H](C)N)nc1-c1ccc(Cl)cc1 ZINC000003708661 567853566 /nfs/dbraw/zinc/85/35/66/567853566.db2.gz XYPLJIPSPRVZHJ-ZETCQYMHSA-N 0 3 252.770 3.792 50 0 CHAAHN Brc1ccccc1[C@@H]1CCCCCN1 ZINC000003734894 567853628 /nfs/dbraw/zinc/85/36/28/567853628.db2.gz SNRBUTFTTGDGDW-LBPRGKRZSA-N 0 3 254.171 3.654 50 0 CHAAHN CCC[C@@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010363771 567861497 /nfs/dbraw/zinc/86/14/97/567861497.db2.gz KMSROQSCVAVPLF-OAHLLOKOSA-N 0 3 288.435 3.591 50 0 CHAAHN CCOc1c(CNC(C)(C)C)cc(Cl)cc1OC ZINC000010436523 567861655 /nfs/dbraw/zinc/86/16/55/567861655.db2.gz FHIRSTXYTJYEQJ-UHFFFAOYSA-N 0 3 271.788 3.635 50 0 CHAAHN CCN1CCC[C@H](C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000012200643 567862616 /nfs/dbraw/zinc/86/26/16/567862616.db2.gz ONPQTTYHSFYLBK-HNNXBMFYSA-N 0 3 273.420 3.899 50 0 CHAAHN Cc1ccc(CN2CCC[C@H]2c2c(C)noc2C)s1 ZINC000015866868 567871415 /nfs/dbraw/zinc/87/14/15/567871415.db2.gz BQAFZAVXOPXJOE-AWEZNQCLSA-N 0 3 276.405 3.998 50 0 CHAAHN CCc1ccc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000019359630 567877127 /nfs/dbraw/zinc/87/71/27/567877127.db2.gz KBQRNTCAIKTVIE-IBGZPJMESA-N 0 3 298.474 3.723 50 0 CHAAHN CC[C@@H](C)N[C@@H](C)c1ccccc1Br ZINC000019882212 567879610 /nfs/dbraw/zinc/87/96/10/567879610.db2.gz ROSKTXKLTYIKJN-ZJUUUORDSA-N 0 3 256.187 3.898 50 0 CHAAHN CCCC(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000027662474 567883661 /nfs/dbraw/zinc/88/36/61/567883661.db2.gz XRUFVMGLPUESBT-CQSZACIVSA-N 0 3 294.464 3.582 50 0 CHAAHN c1ccc(CN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000000486028 567888007 /nfs/dbraw/zinc/88/80/07/567888007.db2.gz CZSIMASWFULERI-QGZVFWFLSA-N 0 3 252.361 3.809 50 0 biogenic CHAAHN O[C@]12CCCC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)NCC2 ZINC000004012343 567888212 /nfs/dbraw/zinc/88/82/12/567888212.db2.gz BPSBHMXEIGURBC-KFWWJZLASA-N 0 3 299.336 3.661 50 0 CHAAHN O=C(CCN1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000004006763 567888398 /nfs/dbraw/zinc/88/83/98/567888398.db2.gz SQJMUKJHIWFEFN-UHFFFAOYSA-N 0 3 275.436 3.648 50 0 CHAAHN Cc1ccc(NC(=O)Nc2ccccc2CN(C)C)cc1 ZINC000058082781 567895452 /nfs/dbraw/zinc/89/54/52/567895452.db2.gz RWZYDPUHHMBCOW-UHFFFAOYSA-N 0 3 283.375 3.701 50 0 CHAAHN CC/C=C(\C)CN(CCCO)Cc1ccc(C)s1 ZINC000063847801 567897583 /nfs/dbraw/zinc/89/75/83/567897583.db2.gz YBZYCQMMTNQMRX-AWNIVKPZSA-N 0 3 267.438 3.597 50 0 CHAAHN Cc1ccsc1CNCc1nc2ccc(C)c(C)c2[nH]1 ZINC000067694879 567899966 /nfs/dbraw/zinc/89/99/66/567899966.db2.gz KTNMJQIGBSNCTC-UHFFFAOYSA-N 0 3 285.416 3.839 50 0 CHAAHN C[C@H](N[C@@H]1CCCC[C@H]1Oc1ccccc1)c1cnccn1 ZINC000253370246 567930529 /nfs/dbraw/zinc/93/05/29/567930529.db2.gz OENMATXWESJNRB-YXJHDRRASA-N 0 3 297.402 3.517 50 0 CHAAHN CCN(Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000000278358 567935994 /nfs/dbraw/zinc/93/59/94/567935994.db2.gz AVAJAEQSXCBOJE-UHFFFAOYSA-N 0 3 255.361 3.717 50 0 CHAAHN c1ccc(CN2CCC3(CC2)Nc2ccccc2CO3)cc1 ZINC000000538914 567936164 /nfs/dbraw/zinc/93/61/64/567936164.db2.gz PDFNQFKOWIQHLD-UHFFFAOYSA-N 0 3 294.398 3.621 50 0 CHAAHN CCc1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000004675745 567938335 /nfs/dbraw/zinc/93/83/35/567938335.db2.gz UMGKQDZRXXKKSE-UHFFFAOYSA-N 0 3 280.415 3.571 50 0 CHAAHN C[C@@H](N)c1cccc(Br)c1OCC(C)(F)F ZINC000585662247 567938838 /nfs/dbraw/zinc/93/88/38/567938838.db2.gz QJEGAWYSFLPVFG-SSDOTTSWSA-N 0 3 294.139 3.503 50 0 CHAAHN CCSCCN(Cc1ccc(CO)o1)C1CCCCC1 ZINC000055090971 570240204 /nfs/dbraw/zinc/24/02/04/570240204.db2.gz ILKDWXZGFZZCHF-UHFFFAOYSA-N 0 3 297.464 3.660 50 0 CHAAHN CC[C@H](C)N(Cc1cccnc1)Cc1cccc(O)c1 ZINC000055099108 570240425 /nfs/dbraw/zinc/24/04/25/570240425.db2.gz DPAGHYMEWIWBSW-AWEZNQCLSA-N 0 3 270.376 3.588 50 0 CHAAHN Cc1ccsc1CN(Cc1c[nH]cn1)C1CCCC1 ZINC000055089384 570240501 /nfs/dbraw/zinc/24/05/01/570240501.db2.gz DQUZYUXKDGWMOF-UHFFFAOYSA-N 0 3 275.421 3.724 50 0 CHAAHN Cc1ccsc1CN(Cc1cnc[nH]1)C1CCCC1 ZINC000055089384 570240502 /nfs/dbraw/zinc/24/05/02/570240502.db2.gz DQUZYUXKDGWMOF-UHFFFAOYSA-N 0 3 275.421 3.724 50 0 CHAAHN c1coc(CNCCOc2ccc3ccccc3c2)c1 ZINC000003460899 570278971 /nfs/dbraw/zinc/27/89/71/570278971.db2.gz VAIZTFPUWIDUMA-UHFFFAOYSA-N 0 3 267.328 3.601 50 0 CHAAHN Cc1cccc(CN2CCCC[C@@H]2CCc2ccccn2)n1 ZINC000215800323 570304214 /nfs/dbraw/zinc/30/42/14/570304214.db2.gz YZMTYPLJNLWPEV-LJQANCHMSA-N 0 3 295.430 3.772 50 0 CHAAHN CN(Cc1cc(Cl)ccc1F)[C@H]1CCOC(C)(C)C1 ZINC000215817099 570304295 /nfs/dbraw/zinc/30/42/95/570304295.db2.gz PRNBXJNZIICLAH-ZDUSSCGKSA-N 0 3 285.790 3.869 50 0 CHAAHN CN(CCc1ccccn1)Cc1ccc(C(F)(F)F)cc1 ZINC000023115277 570310537 /nfs/dbraw/zinc/31/05/37/570310537.db2.gz QOYVDVRMMSDUFV-UHFFFAOYSA-N 0 3 294.320 3.775 50 0 CHAAHN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000229571504 570316673 /nfs/dbraw/zinc/31/66/73/570316673.db2.gz SGGPQDFATTWKIN-JHJVBQTASA-N 0 3 294.826 3.645 50 0 CHAAHN CCc1ccc(CNCc2ccc(F)c(C)c2)cc1 ZINC000083429009 570332268 /nfs/dbraw/zinc/33/22/68/570332268.db2.gz DAMHAVGMANRBDQ-UHFFFAOYSA-N 0 3 257.352 3.986 50 0 CHAAHN CN1CCCc2c(c3cc(F)ccc3n2-c2ccncc2)C1 ZINC000075567353 570355812 /nfs/dbraw/zinc/35/58/12/570355812.db2.gz XQSFLWSBSWKIFE-UHFFFAOYSA-N 0 3 295.361 3.543 50 0 CHAAHN Cc1n[nH]cc1CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000037119208 570362509 /nfs/dbraw/zinc/36/25/09/570362509.db2.gz RHYQFWXQSWYBTH-HNNXBMFYSA-N 0 3 275.371 3.734 50 0 CHAAHN C[C@@H]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000000280001 570382815 /nfs/dbraw/zinc/38/28/15/570382815.db2.gz XGRCNMHFPNLYAF-HUUCEWRRSA-N 0 3 276.399 3.526 50 0 CHAAHN Cc1nccn1CCCN(C)Cc1[nH]c2ccccc2c1C ZINC000670452342 570400653 /nfs/dbraw/zinc/40/06/53/570400653.db2.gz HBGDGIZNJOXNGC-UHFFFAOYSA-N 0 3 296.418 3.503 50 0 CHAAHN CC[C@H](NCc1cnc(SC)nc1)c1cccs1 ZINC000952982753 615819311 /nfs/dbraw/zinc/81/93/11/615819311.db2.gz QRHNVBNYZZMTSP-NSHDSACASA-N 0 3 279.434 3.501 50 0 CHAAHN FC(F)(F)c1cccc([C@H]2CNC3(CCCC3)CO2)c1 ZINC000053068180 1118456987 /nfs/dbraw/zinc/45/69/87/1118456987.db2.gz CKFGMBPAJAMQJI-CYBMUJFWSA-N 0 3 285.309 3.679 50 0 CHAAHN N[C@@H](c1ccccc1)c1cccc(C(F)(F)F)c1F ZINC000094598820 1123852243 /nfs/dbraw/zinc/85/22/43/1123852243.db2.gz BSFPICPZTDUAPU-ZDUSSCGKSA-N 0 3 269.241 3.893 50 0 CHAAHN O=C(C[C@H]1C=CCC1)Nc1ccccc1CN1CCCC1 ZINC000828075107 1129372811 /nfs/dbraw/zinc/37/28/11/1129372811.db2.gz LSSILCAAVZJITP-HNNXBMFYSA-N 0 3 284.403 3.577 50 0 CHAAHN CC[C@H](C)N(C/C=C/c1ccco1)Cc1cccnc1 ZINC000055252392 1130266419 /nfs/dbraw/zinc/26/64/19/1130266419.db2.gz HTXCUIXOZBEWLR-PXTSUWAFSA-N 0 3 270.376 3.989 50 0 CHAAHN CN(C)[C@H](CNc1nccc2occc21)c1ccccc1 ZINC000089313889 179768083 /nfs/dbraw/zinc/76/80/83/179768083.db2.gz LWGHKXTWKCWQCG-OAHLLOKOSA-N 0 3 281.359 3.543 50 0 CHAAHN CCc1ccc([C@H](C)N[C@H]2CCO[C@@]3(CCSC3)C2)o1 ZINC000110704204 186314045 /nfs/dbraw/zinc/31/40/45/186314045.db2.gz ZZDNZXRLQJBYGM-XEZPLFJOSA-N 0 3 295.448 3.547 50 0 CHAAHN Cc1cc(CN2CCC3(C=Cc4ccccc43)CC2)on1 ZINC000216217206 189701739 /nfs/dbraw/zinc/70/17/39/189701739.db2.gz RTTUBJJZPQWHDH-UHFFFAOYSA-N 0 3 280.371 3.544 50 0 CHAAHN CNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000004942887 170043267 /nfs/dbraw/zinc/04/32/67/170043267.db2.gz KVRNDHJOFNNVSM-UHFFFAOYSA-N 0 3 256.132 3.973 50 0 CHAAHN CC[C@H](CO)NCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942965 170043744 /nfs/dbraw/zinc/04/37/44/170043744.db2.gz JSFOSCJNABWKJM-LLVKDONJSA-N 0 3 297.757 3.600 50 0 CHAAHN CNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004942921 170043791 /nfs/dbraw/zinc/04/37/91/170043791.db2.gz WYFUKEPSGAJSHY-UHFFFAOYSA-N 0 3 256.132 3.973 50 0 CHAAHN CC(C)CN(Cc1nnc(-c2ccccc2)o1)CC(C)C ZINC000005031877 170058573 /nfs/dbraw/zinc/05/85/73/170058573.db2.gz KUDLZAKFQYXCGC-UHFFFAOYSA-N 0 3 287.407 3.851 50 0 CHAAHN Cc1ccc([C@H]2CN(C)C[C@@H]2C(=O)c2ccc(F)cc2)cc1 ZINC000005617834 170120727 /nfs/dbraw/zinc/12/07/27/170120727.db2.gz BYKGNHGDMQKYEE-MSOLQXFVSA-N 0 3 297.373 3.662 50 0 CHAAHN Cc1ccc(C)c2c(=O)c(CN3CCCC[C@H]3C)c(C)[nH]c12 ZINC000005800600 170141452 /nfs/dbraw/zinc/14/14/52/170141452.db2.gz REGDHZGHWTUHJC-CQSZACIVSA-N 0 3 298.430 3.828 50 0 CHAAHN CCN(Cc1ccccc1)Cc1ccc(NC(C)=O)cc1 ZINC000006274629 170187454 /nfs/dbraw/zinc/18/74/54/170187454.db2.gz QXGRMXPNEYHYTE-UHFFFAOYSA-N 0 3 282.387 3.667 50 0 CHAAHN CC(C)(C)NCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000006559917 170213158 /nfs/dbraw/zinc/21/31/58/170213158.db2.gz WJBCYXKPTXCWKA-UHFFFAOYSA-N 0 3 296.414 3.604 50 0 CHAAHN CC(C)OCCCNCc1cc2ccccc2nc1Cl ZINC000006650923 170222483 /nfs/dbraw/zinc/22/24/83/170222483.db2.gz MKGQFYKCWHAXCD-UHFFFAOYSA-N 0 3 292.810 3.793 50 0 CHAAHN Oc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000006667492 170224160 /nfs/dbraw/zinc/22/41/60/170224160.db2.gz NOOGIUGNQLBQTH-UHFFFAOYSA-N 0 3 283.346 3.821 50 0 CHAAHN COc1cc(CNC2CC2)ccc1OCCc1ccccc1 ZINC000006697263 170226727 /nfs/dbraw/zinc/22/67/27/170226727.db2.gz QOOFNILHBLRVTL-UHFFFAOYSA-N 0 3 297.398 3.569 50 0 CHAAHN O=C(Nc1ccccc1)c1ccc(CN2CCCC2)cc1 ZINC000007016158 170262393 /nfs/dbraw/zinc/26/23/93/170262393.db2.gz ZBNQWVHLQLOUIA-UHFFFAOYSA-N 0 3 280.371 3.535 50 0 CHAAHN CCCCN(C)Cc1c(C)[nH]c2ccc(F)cc2c1=O ZINC000008717109 170349329 /nfs/dbraw/zinc/34/93/29/170349329.db2.gz WDVJHDBBYLHIIS-UHFFFAOYSA-N 0 3 276.355 3.620 50 0 CHAAHN Cc1cccc2c(=O)c(CN3CCC[C@@H](C)C3)c(C)[nH]c12 ZINC000008911508 170358997 /nfs/dbraw/zinc/35/89/97/170358997.db2.gz TXRBYAROTFFCQP-GFCCVEGCSA-N 0 3 284.403 3.789 50 0 CHAAHN CCN(CC)Cc1c(C)[nH]c2c(Cl)cccc2c1=O ZINC000009911018 170389733 /nfs/dbraw/zinc/38/97/33/170389733.db2.gz LXAYMFPHIBDMKP-UHFFFAOYSA-N 0 3 278.783 3.744 50 0 CHAAHN Cc1ccc(CNCc2c[nH]nc2-c2ccc(C)cc2)cc1 ZINC000010003176 170394699 /nfs/dbraw/zinc/39/46/99/170394699.db2.gz DKLMBDNLCRYFCH-UHFFFAOYSA-N 0 3 291.398 3.983 50 0 CHAAHN CC(C)C[C@@H](CNCc1c(F)cccc1Cl)N(C)C ZINC000020564730 171253656 /nfs/dbraw/zinc/25/36/56/171253656.db2.gz YDPACEROMKCYDF-LBPRGKRZSA-N 0 3 286.822 3.545 50 0 CHAAHN Cc1noc(C)c1CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000035257777 172088903 /nfs/dbraw/zinc/08/89/03/172088903.db2.gz CLNWRRSKWPLHBE-GHMZBOCLSA-N 0 3 276.302 3.502 50 0 CHAAHN C[C@H](NCC[C@@H]1CCCO1)c1ccccc1Cl ZINC000038095404 174108819 /nfs/dbraw/zinc/10/88/19/174108819.db2.gz SDMYIDDJBLPLIS-RYUDHWBXSA-N 0 3 253.773 3.560 50 0 CHAAHN N[C@@H](c1ccccc1Cl)[C@@H](N)c1ccccc1Cl ZINC000043763977 175105314 /nfs/dbraw/zinc/10/53/14/175105314.db2.gz BMALUZKOHRPBTN-KBPBESRZSA-N 0 3 281.186 3.693 50 0 CHAAHN Cc1nn(C)c(C)c1[C@H](C)NCc1cc(C)cc(C)c1 ZINC000071857583 176278484 /nfs/dbraw/zinc/27/84/84/176278484.db2.gz YENNJJKZVXONQV-ZDUSSCGKSA-N 0 3 271.408 3.505 50 0 CHAAHN CC(C)Cc1ccc(CNCc2cccc(CO)c2)cc1 ZINC000088715451 328013436 /nfs/dbraw/zinc/01/34/36/328013436.db2.gz OTBASRDHQCEDSK-UHFFFAOYSA-N 0 3 283.415 3.667 50 0 CHAAHN C[C@H](NCc1ccc(Oc2ccccc2)o1)[C@H]1CCOC1 ZINC000096500132 533921712 /nfs/dbraw/zinc/92/17/12/533921712.db2.gz UJIQJUPLJAYXKB-KBPBESRZSA-N 0 3 287.359 3.587 50 0 CHAAHN CC(C)[C@@H](NC[C@@H]1CC=CCC1)c1nc(C2CC2)no1 ZINC000122950178 519798921 /nfs/dbraw/zinc/79/89/21/519798921.db2.gz JSERQIRYJMGKNG-TZMCWYRMSA-N 0 3 275.396 3.590 50 0 CHAAHN COc1ccc(CC[C@@H](C)NCc2csc(C)n2)cc1 ZINC000041010556 523982393 /nfs/dbraw/zinc/98/23/93/523982393.db2.gz MWFUOCWZZCAKRS-GFCCVEGCSA-N 0 3 290.432 3.571 50 0 CHAAHN COc1ccccc1C1(CNCc2ccco2)CCCC1 ZINC000083976262 566875419 /nfs/dbraw/zinc/87/54/19/566875419.db2.gz VROGRPIXVGYCFB-UHFFFAOYSA-N 0 3 285.387 3.890 50 0 CHAAHN CCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000239046643 566965792 /nfs/dbraw/zinc/96/57/92/566965792.db2.gz FVGXVARSBZSODC-NSNWQYSKSA-N 0 3 292.467 3.706 50 0 CHAAHN CCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000239046642 566966016 /nfs/dbraw/zinc/96/60/16/566966016.db2.gz FVGXVARSBZSODC-BQGCOEIASA-N 0 3 292.467 3.706 50 0 CHAAHN CCCc1nnc(-c2ccc([C@H](C)N(C)C)cc2)s1 ZINC000426658203 566991636 /nfs/dbraw/zinc/99/16/36/566991636.db2.gz JRPHCYJMQPBNEP-NSHDSACASA-N 0 3 275.421 3.780 50 0 CHAAHN CCCCCC[C@@H]1CCC[C@@H]1NCc1ccno1 ZINC000170595404 567011347 /nfs/dbraw/zinc/01/13/47/567011347.db2.gz PRXZIFJVJZTLHL-HIFRSBDPSA-N 0 3 250.386 3.903 50 0 CHAAHN C[C@H]1CC[C@H](CNC2(c3ccc(F)cc3F)CCCC2)O1 ZINC000170608592 567013753 /nfs/dbraw/zinc/01/37/53/567013753.db2.gz PVOVHZVENKVSNS-GXTWGEPZSA-N 0 3 295.373 3.891 50 0 CHAAHN C[C@H]1C[C@@H](c2ccsc2)CN1Cc1ccncc1 ZINC000095401544 567039261 /nfs/dbraw/zinc/03/92/61/567039261.db2.gz DJPDQXZFCVTWSO-SWLSCSKDSA-N 0 3 258.390 3.521 50 0 CHAAHN c1ccc(-c2cncc(CN3CCCCC3)c2)cc1 ZINC000037554002 567067758 /nfs/dbraw/zinc/06/77/58/567067758.db2.gz TYDKLLISZNDWJE-UHFFFAOYSA-N 0 3 252.361 3.735 50 0 CHAAHN C[C@@H](NCc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000095419222 567130856 /nfs/dbraw/zinc/13/08/56/567130856.db2.gz NHHYBIQVKLMCNC-CYBMUJFWSA-N 0 3 294.398 3.767 50 0 CHAAHN Cc1ccc(C)c([C@@H](OCCN(C)C)c2ccccc2)c1 ZINC000096026354 567136667 /nfs/dbraw/zinc/13/66/67/567136667.db2.gz VITQRFZZRZNCGK-IBGZPJMESA-N 0 3 283.415 3.971 50 0 CHAAHN CN1CCC[C@H](CC(O)(c2ccccc2)c2ccccc2)C1 ZINC000096028091 567138347 /nfs/dbraw/zinc/13/83/47/567138347.db2.gz DFENTWYMBKAKAX-QGZVFWFLSA-N 0 3 295.426 3.654 50 0 CHAAHN C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)N1CCCCC1 ZINC000027988370 567147098 /nfs/dbraw/zinc/14/70/98/567147098.db2.gz AKQVDWQQRKYCOZ-ZZFFKQLHSA-N 0 3 275.436 3.646 50 0 CHAAHN O[C@@H](CN1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000002651813 567150825 /nfs/dbraw/zinc/15/08/25/567150825.db2.gz IWAGAOQLMHUERY-IBGZPJMESA-N 0 3 279.383 3.509 50 0 CHAAHN CC(C)(C)C[C@H]1CCCN1Cc1nc(-c2ccco2)no1 ZINC000057863231 567164416 /nfs/dbraw/zinc/16/44/16/567164416.db2.gz UEEZBEGNFXFPSM-GFCCVEGCSA-N 0 3 289.379 3.730 50 0 CHAAHN Cc1nc(CN(C)C[C@]2(c3ccccc3)CC2(C)C)c[nH]1 ZINC000670446022 567175854 /nfs/dbraw/zinc/17/58/54/567175854.db2.gz QKVILWRFDCAFRW-SFHVURJKSA-N 0 3 283.419 3.518 50 0 CHAAHN Cc1ncc(CN(C)C[C@]2(c3ccccc3)CC2(C)C)[nH]1 ZINC000670446022 567175858 /nfs/dbraw/zinc/17/58/58/567175858.db2.gz QKVILWRFDCAFRW-SFHVURJKSA-N 0 3 283.419 3.518 50 0 CHAAHN c1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1 ZINC000000025447 567816626 /nfs/dbraw/zinc/81/66/26/567816626.db2.gz PKUGRVAJRGZDJP-UHFFFAOYSA-N 0 3 267.372 3.828 50 0 in-vitro CHAAHN COc1cccc(Sc2ccccc2CN(C)C)c1 ZINC000000347483 567826400 /nfs/dbraw/zinc/82/64/00/567826400.db2.gz ZKDJTQMXLPCOTF-UHFFFAOYSA-N 0 3 273.401 3.908 50 0 CHAAHN CCC(=O)c1ccc(OCCCN2CCCCC2)cc1 ZINC000002009078 567843882 /nfs/dbraw/zinc/84/38/82/567843882.db2.gz LTAJHAFDPKOAJV-UHFFFAOYSA-N 0 3 275.392 3.534 50 0 CHAAHN Cc1cc(C)c2c(CN3CCC(C)CC3)cc(=O)oc2c1 ZINC000002337658 567845528 /nfs/dbraw/zinc/84/55/28/567845528.db2.gz ZIARRVOVIIMKBW-UHFFFAOYSA-N 0 3 285.387 3.642 50 0 CHAAHN CCCCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000004054443 567855100 /nfs/dbraw/zinc/85/51/00/567855100.db2.gz PMJXNJOUDBECRM-UHFFFAOYSA-N 0 3 264.388 3.528 50 0 CHAAHN CCOc1cccc(CNC)c1OCc1ccccc1F ZINC000013729934 567867721 /nfs/dbraw/zinc/86/77/21/567867721.db2.gz HIRKDTRYKSTYNZ-UHFFFAOYSA-N 0 3 289.350 3.523 50 0 CHAAHN Cc1c([C@@H](C)NC2CCC2)cnn1-c1cccc(F)c1 ZINC000014948247 567870025 /nfs/dbraw/zinc/87/00/25/567870025.db2.gz GAPVYXCDLXNZRV-LLVKDONJSA-N 0 3 273.355 3.523 50 0 CHAAHN COCCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000016578364 567873116 /nfs/dbraw/zinc/87/31/16/567873116.db2.gz XCXZYNSKSIAKAC-UHFFFAOYSA-N 0 3 299.292 3.701 50 0 CHAAHN Cc1ccc(C)c(N2CCN(Cc3ccccc3)CC2)c1 ZINC000016663057 567873282 /nfs/dbraw/zinc/87/32/82/567873282.db2.gz WAGVQFDZQGWLIQ-UHFFFAOYSA-N 0 3 280.415 3.626 50 0 CHAAHN CN(Cc1cnoc1-c1ccccc1)Cc1ccccc1 ZINC000065288896 567876935 /nfs/dbraw/zinc/87/69/35/567876935.db2.gz IQWGEXZUEUTYAM-UHFFFAOYSA-N 0 3 278.355 3.974 50 0 CHAAHN COc1ccccc1CNCCc1ccc(Cl)cc1 ZINC000019720958 567878497 /nfs/dbraw/zinc/87/84/97/567878497.db2.gz IGCXVOWFGAPLMT-UHFFFAOYSA-N 0 3 275.779 3.681 50 0 CHAAHN CC(C)c1ccc(CNC[C@@H](O)c2ccccc2)cc1 ZINC000020028141 567880439 /nfs/dbraw/zinc/88/04/39/567880439.db2.gz ABAYPBNJVATNDZ-GOSISDBHSA-N 0 3 269.388 3.633 50 0 CHAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cccc(F)c1 ZINC000020081906 567880757 /nfs/dbraw/zinc/88/07/57/567880757.db2.gz FQFZGFYGCVKNLK-QGZVFWFLSA-N 0 3 296.345 3.551 50 0 biogenic,in-vitro CHAAHN Oc1ccc2c(c1)CN([C@H]1CCCc3ccccc31)CC2 ZINC000072291834 567884292 /nfs/dbraw/zinc/88/42/92/567884292.db2.gz IVXQLEQJYREYDX-IBGZPJMESA-N 0 3 279.383 3.828 50 0 CHAAHN CN(C(=N)N)c1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000019927774 567893866 /nfs/dbraw/zinc/89/38/66/567893866.db2.gz YIURGICSUXDEDR-NTCAYCPXSA-N 0 3 275.355 3.584 50 0 CHAAHN CC(=O)Nc1sc(C)c(C)c1CN1CCC(C)CC1 ZINC000033029256 567893964 /nfs/dbraw/zinc/89/39/64/567893964.db2.gz UCSQSFZOGAIYJG-UHFFFAOYSA-N 0 3 280.437 3.555 50 0 CHAAHN CC[C@H](c1cccnc1)N(C)Cc1ccc(NC(C)=O)cc1 ZINC000065396669 567899131 /nfs/dbraw/zinc/89/91/31/567899131.db2.gz HZRSQBHUXDZOTM-GOSISDBHSA-N 0 3 297.402 3.623 50 0 CHAAHN COc1cc2c(cc1OC)[C@H](c1ccc(C)cc1C)NCC2 ZINC000000053487 567905758 /nfs/dbraw/zinc/90/57/58/567905758.db2.gz BEOKKQIJBNZWBW-IBGZPJMESA-N 0 3 297.398 3.556 50 0 CHAAHN CC(C)CNCc1cc(Cl)ccc1Br ZINC000085219864 567907173 /nfs/dbraw/zinc/90/71/73/567907173.db2.gz RUKZIYQOTKFCRW-UHFFFAOYSA-N 0 3 276.605 3.848 50 0 CHAAHN C[C@@H]1CN(CCCCOc2cccc(Cl)c2)C[C@H](C)O1 ZINC000016247512 567908602 /nfs/dbraw/zinc/90/86/02/567908602.db2.gz WPIVZRDEHDUZOB-OKILXGFUSA-N 0 3 297.826 3.608 50 0 CHAAHN COC[C@H](N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 ZINC000249173806 567929885 /nfs/dbraw/zinc/92/98/85/567929885.db2.gz DCLWKIWDAOWICU-WOPDTQHZSA-N 0 3 291.313 3.678 50 0 CHAAHN Cc1cc(C)cc(CN[C@@H](CN(C)C)c2ccccc2)c1 ZINC000049900532 567946849 /nfs/dbraw/zinc/94/68/49/567946849.db2.gz CLEJVXUTFXKMCI-IBGZPJMESA-N 0 3 282.431 3.696 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CNC[C@H]2CCCO2)o1 ZINC000225392289 567953228 /nfs/dbraw/zinc/95/32/28/567953228.db2.gz PRCFDFCWQACROC-CYBMUJFWSA-N 0 3 289.350 3.663 50 0 CHAAHN CCCN[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000037762130 570234483 /nfs/dbraw/zinc/23/44/83/570234483.db2.gz GMWHHVFUOYFQOD-INIZCTEOSA-N 0 3 258.340 3.618 50 0 CHAAHN CC[C@H](C)N(Cc1ccsc1)Cc1nc(C)ccc1O ZINC000055089814 570240567 /nfs/dbraw/zinc/24/05/67/570240567.db2.gz QLHNNFLAXNHTBU-ZDUSSCGKSA-N 0 3 290.432 3.958 50 0 CHAAHN CC[C@H](C)[N@H+](Cc1ccsc1)Cc1nc(C)ccc1[O-] ZINC000055089814 570240571 /nfs/dbraw/zinc/24/05/71/570240571.db2.gz QLHNNFLAXNHTBU-ZDUSSCGKSA-N 0 3 290.432 3.958 50 0 CHAAHN CC[C@H](C)[N@@H+](Cc1ccsc1)Cc1nc(C)ccc1[O-] ZINC000055089814 570240576 /nfs/dbraw/zinc/24/05/76/570240576.db2.gz QLHNNFLAXNHTBU-ZDUSSCGKSA-N 0 3 290.432 3.958 50 0 CHAAHN Cn1cc(CN2CCc3ccccc3C2)c2ccccc21 ZINC000000216738 570263646 /nfs/dbraw/zinc/26/36/46/570263646.db2.gz NUYMLBCETWIHJM-UHFFFAOYSA-N 0 3 276.383 3.737 50 0 CHAAHN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1cccc2cc[nH]c21 ZINC000216058410 570304938 /nfs/dbraw/zinc/30/49/38/570304938.db2.gz BWDQWOJOAMTSAQ-UHFFFAOYSA-N 0 3 296.418 3.821 50 0 CHAAHN COc1ccc([C@H]2CCCN2Cc2ccc(O)cc2)cc1 ZINC000015837067 570344009 /nfs/dbraw/zinc/34/40/09/570344009.db2.gz JZZDDIBDLFLIPU-GOSISDBHSA-N 0 3 283.371 3.738 50 0 CHAAHN COC[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 ZINC000249173803 570360759 /nfs/dbraw/zinc/36/07/59/570360759.db2.gz DCLWKIWDAOWICU-UTUOFQBUSA-N 0 3 291.313 3.678 50 0 CHAAHN Cc1c([C@@H]2CCCN2Cc2cccc3[nH]ccc32)cnn1C ZINC000091967928 570371403 /nfs/dbraw/zinc/37/14/03/570371403.db2.gz HXDOCYKZDUKNCF-SFHVURJKSA-N 0 3 294.402 3.547 50 0 CHAAHN Cc1cc([C@@H]2CCCN2Cc2cccc3cccnc32)on1 ZINC000040536468 570412175 /nfs/dbraw/zinc/41/21/75/570412175.db2.gz BGVPXBMUSIYOHI-INIZCTEOSA-N 0 3 293.370 3.868 50 0 CHAAHN CC[C@H](CO)N(Cc1ccsc1)Cc1sccc1C ZINC000055325620 1125658901 /nfs/dbraw/zinc/65/89/01/1125658901.db2.gz WLZWOGXWZWZGGG-CQSZACIVSA-N 0 3 295.473 3.891 50 0 CHAAHN O=C(Nc1ccccc1CN1CCCCC1)[C@@H]1CC12CCC2 ZINC000827701494 1129362526 /nfs/dbraw/zinc/36/25/26/1129362526.db2.gz AAAHPEXJKFODLR-INIZCTEOSA-N 0 3 298.430 3.801 50 0 CHAAHN CC[C@@H](C)N(C/C=C/c1ccco1)Cc1cccnc1 ZINC000055252390 1130266550 /nfs/dbraw/zinc/26/65/50/1130266550.db2.gz HTXCUIXOZBEWLR-SBJJXXPASA-N 0 3 270.376 3.989 50 0 CHAAHN c1nc([C@@H](NC2CCCCCCC2)c2ccccc2)n[nH]1 ZINC000095940858 185036487 /nfs/dbraw/zinc/03/64/87/185036487.db2.gz AUCQOMSNKYSNHZ-INIZCTEOSA-N 0 3 284.407 3.597 50 0 CHAAHN c1nnc([C@@H]([NH2+]C2CCCCCCC2)c2ccccc2)[n-]1 ZINC000095940858 185036488 /nfs/dbraw/zinc/03/64/88/185036488.db2.gz AUCQOMSNKYSNHZ-INIZCTEOSA-N 0 3 284.407 3.597 50 0 CHAAHN c1nnc([C@@H](NC2CCCCCCC2)c2ccccc2)[nH]1 ZINC000095940858 185036489 /nfs/dbraw/zinc/03/64/89/185036489.db2.gz AUCQOMSNKYSNHZ-INIZCTEOSA-N 0 3 284.407 3.597 50 0 CHAAHN FC(F)(F)c1ccc2c(c1)CNCC21CCCC1 ZINC000096032301 185066980 /nfs/dbraw/zinc/06/69/80/185066980.db2.gz GPJKNXWTIWZJIX-UHFFFAOYSA-N 0 3 255.283 3.620 50 0 CHAAHN C[C@H](c1cccs1)N(C)Cc1cccc2c1NCC2 ZINC000097020274 185153011 /nfs/dbraw/zinc/15/30/11/185153011.db2.gz YJUUBJXGIXOEJG-GFCCVEGCSA-N 0 3 272.417 3.909 50 0 CHAAHN CN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000106341639 529824904 /nfs/dbraw/zinc/82/49/04/529824904.db2.gz GWFPZNWTHIITBJ-IRXDYDNUSA-N 0 3 299.801 3.868 50 0 CHAAHN COC[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccco1 ZINC000127495191 187310361 /nfs/dbraw/zinc/31/03/61/187310361.db2.gz DCLWKIWDAOWICU-TUAOUCFPSA-N 0 3 291.313 3.678 50 0 CHAAHN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@H](C)C1 ZINC000106638860 186130214 /nfs/dbraw/zinc/13/02/14/186130214.db2.gz HYVYTRFOOREVKP-ZIAGYGMSSA-N 0 3 282.387 3.509 50 0 CHAAHN CCc1oc2ccccc2c1CNCCc1cscn1 ZINC000108942258 186237180 /nfs/dbraw/zinc/23/71/80/186237180.db2.gz MUEAWDDTYNYETQ-UHFFFAOYSA-N 0 3 286.400 3.784 50 0 CHAAHN Cc1cnc(CNc2cccc3c2CN([C@H](C)C(C)C)C3)o1 ZINC000178007328 189084638 /nfs/dbraw/zinc/08/46/38/189084638.db2.gz FJQWHMSMOAXZTR-CQSZACIVSA-N 0 3 299.418 3.955 50 0 CHAAHN CC(C)(O)CCNC(c1ccccc1)c1ccccc1 ZINC000081644087 177835201 /nfs/dbraw/zinc/83/52/01/177835201.db2.gz VZQUZUSCEQZKMO-UHFFFAOYSA-N 0 3 269.388 3.527 50 0 CHAAHN O=C(c1ccc(CN2CCCC2)cc1)c1cccc(F)c1 ZINC000002514563 169798516 /nfs/dbraw/zinc/79/85/16/169798516.db2.gz UHAFFNNGBHASAO-UHFFFAOYSA-N 0 3 283.346 3.653 50 0 CHAAHN COc1cc(C)c(CN2CCc3ccccc3C2)cc1C ZINC000004990211 170050426 /nfs/dbraw/zinc/05/04/26/170050426.db2.gz CNHZNWHQXRSXJV-UHFFFAOYSA-N 0 3 281.399 3.870 50 0 CHAAHN CCCN[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000005937250 170158527 /nfs/dbraw/zinc/15/85/27/170158527.db2.gz MBSGOSNNUZUOFI-SFHVURJKSA-N 0 3 296.414 3.983 50 0 CHAAHN CC[C@H](C)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006788124 170244094 /nfs/dbraw/zinc/24/40/94/170244094.db2.gz CILWEQVQHBKYMA-IUCAKERBSA-N 0 3 289.206 3.709 50 0 CHAAHN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000007386121 170281975 /nfs/dbraw/zinc/28/19/75/170281975.db2.gz SGGPQDFATTWKIN-UPJWGTAASA-N 0 3 294.826 3.645 50 0 CHAAHN Clc1cccc(CN2c3ccccc3N3CCCN=C23)c1 ZINC000009250000 170368620 /nfs/dbraw/zinc/36/86/20/170368620.db2.gz TYOXWPZCTSTNCC-UHFFFAOYSA-N 0 3 297.789 3.926 50 0 CHAAHN CCCCCCOc1ccccc1CNC[C@@H]1CCCO1 ZINC000019737901 170851129 /nfs/dbraw/zinc/85/11/29/170851129.db2.gz PXLSEKFYYRXMSB-KRWDZBQOSA-N 0 3 291.435 3.914 50 0 CHAAHN Cc1ccc(OCCCCN2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000020168147 171040471 /nfs/dbraw/zinc/04/04/71/171040471.db2.gz MPQYZXUZHVKOLR-IAGOWNOFSA-N 0 3 291.435 3.572 50 0 CHAAHN Cc1cccc(C)c1OCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000020167229 171041032 /nfs/dbraw/zinc/04/10/32/171041032.db2.gz QTZNHESGTDJNRS-IAGOWNOFSA-N 0 3 291.435 3.572 50 0 CHAAHN CC(C)[C@@H](CCN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000020573391 171255873 /nfs/dbraw/zinc/25/58/73/171255873.db2.gz HOSQHUKNCZIYJP-QGZVFWFLSA-N 0 3 294.870 3.717 50 0 CHAAHN Cc1ccsc1CN1CCC[C@H]1c1c(C)noc1C ZINC000021720415 171320818 /nfs/dbraw/zinc/32/08/18/171320818.db2.gz XFWJTMCZZXMERQ-ZDUSSCGKSA-N 0 3 276.405 3.998 50 0 CHAAHN COc1cccc(CNCc2c(C)cc(C)cc2C)c1 ZINC000037486647 173230145 /nfs/dbraw/zinc/23/01/45/173230145.db2.gz QGVYHWNUJFAXGQ-UHFFFAOYSA-N 0 3 269.388 3.910 50 0 CHAAHN Cc1n[nH]cc1CN[C@@H](c1ccccc1)C1CCCC1 ZINC000071837236 176273934 /nfs/dbraw/zinc/27/39/34/176273934.db2.gz RCXSZBZXPJCSBY-KRWDZBQOSA-N 0 3 269.392 3.739 50 0 CHAAHN Cc1ccc([C@H](C)CCN2CC(c3ccccn3)C2)o1 ZINC000072169157 176332507 /nfs/dbraw/zinc/33/25/07/176332507.db2.gz LPZOEIHITLVMOB-CYBMUJFWSA-N 0 3 270.376 3.576 50 0 CHAAHN Cc1ccc([C@@H]2CN(C)C[C@H]2C(=O)c2ccc(F)cc2)cc1 ZINC000005739363 260019610 /nfs/dbraw/zinc/01/96/10/260019610.db2.gz BYKGNHGDMQKYEE-ZWKOTPCHSA-N 0 3 297.373 3.662 50 0 CHAAHN c1nn(-c2ccccc2)cc1CN[C@H]1CCc2ccccc21 ZINC000053602534 261713731 /nfs/dbraw/zinc/71/37/31/261713731.db2.gz PPGXXSWSJITSJG-IBGZPJMESA-N 0 3 289.382 3.649 50 0 CHAAHN CCSC[C@@H](C)NCc1cc(-c2cccc(F)c2)no1 ZINC000534629402 328328268 /nfs/dbraw/zinc/32/82/68/328328268.db2.gz NRMZOSKCEFRCFZ-LLVKDONJSA-N 0 3 294.395 3.712 50 0 CHAAHN C[C@@H](CC(F)(F)F)NCCOc1cccc2cccnc21 ZINC000534659159 328341833 /nfs/dbraw/zinc/34/18/33/328341833.db2.gz MPYHMAHXBWJYRI-NSHDSACASA-N 0 3 298.308 3.544 50 0 CHAAHN Cc1noc(C)c1CN1CCC[C@@H]1c1ccccc1 ZINC000054993332 330321419 /nfs/dbraw/zinc/32/14/19/330321419.db2.gz LFJHNAJSHNMNBM-MRXNPFEDSA-N 0 3 256.349 3.629 50 0 CHAAHN COc1ccccc1C[C@@H](C)N[C@H](C)c1ncc(C)s1 ZINC000096479086 534102481 /nfs/dbraw/zinc/10/24/81/534102481.db2.gz GCKOMLZPWFBVLY-DGCLKSJQSA-N 0 3 290.432 3.742 50 0 CHAAHN CCc1cc(CCCN[C@H](C)c2csc(CC)n2)on1 ZINC000242263332 566826324 /nfs/dbraw/zinc/82/63/24/566826324.db2.gz XYEZXIDFMOQSLD-LLVKDONJSA-N 0 3 293.436 3.539 50 0 CHAAHN CCCCC[C@H](C)NCc1cc(OC)ccc1OC ZINC000035133999 566895263 /nfs/dbraw/zinc/89/52/63/566895263.db2.gz YUALOCQDNCKIFV-ZDUSSCGKSA-N 0 3 265.397 3.762 50 0 CHAAHN CCO[C@H]1C[C@@H](NCc2cccc(O)c2)C12CCCCC2 ZINC000075092253 566935286 /nfs/dbraw/zinc/93/52/86/566935286.db2.gz IIRGZAREOFZPFD-SJORKVTESA-N 0 3 289.419 3.610 50 0 CHAAHN c1csc(C2CCN(Cc3cccnc3)CC2)c1 ZINC000575604154 566943135 /nfs/dbraw/zinc/94/31/35/566943135.db2.gz RKMRZWNAUNKXBD-UHFFFAOYSA-N 0 3 258.390 3.523 50 0 CHAAHN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C[C@H](C)C[C@@H](C)C1 ZINC000016475837 566964637 /nfs/dbraw/zinc/96/46/37/566964637.db2.gz MXNXUGZLEBGSEG-UPJWGTAASA-N 0 3 294.826 3.645 50 0 CHAAHN C[C@@H](CN(C)Cc1ccccc1)C(=O)c1ccccc1 ZINC000053934922 566970810 /nfs/dbraw/zinc/97/08/10/566970810.db2.gz OIVGLKASIPOPKY-HNNXBMFYSA-N 0 3 267.372 3.637 50 0 CHAAHN Cc1noc(C)c1CN[C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000065479302 567007835 /nfs/dbraw/zinc/00/78/35/567007835.db2.gz QANRNMUWCPZKAL-XFBWCDHKSA-N 0 3 270.376 3.573 50 0 CHAAHN CC(C)OCCN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089887865 567028396 /nfs/dbraw/zinc/02/83/96/567028396.db2.gz MXQGVPZDQJYCDM-UHFFFAOYSA-N 0 3 284.403 3.682 50 0 CHAAHN COCC[C@H](NCc1cccs1)c1ccc(F)cc1 ZINC000095419355 567130922 /nfs/dbraw/zinc/13/09/22/567130922.db2.gz VRBAOFCXJTZLIS-HNNXBMFYSA-N 0 3 279.380 3.755 50 0 CHAAHN Cc1cc([C@@H](C)NCC[S@](=O)C(C)(C)C)c(C)s1 ZINC000095422602 567131509 /nfs/dbraw/zinc/13/15/09/567131509.db2.gz KPJPXWRRBNRULJ-ADLMAVQZSA-N 0 3 287.494 3.563 50 0 CHAAHN FC(F)(F)c1cccc(OCCNCc2ccccc2)c1 ZINC000003363321 567171896 /nfs/dbraw/zinc/17/18/96/567171896.db2.gz PHEPDUKMSVKWHZ-UHFFFAOYSA-N 0 3 295.304 3.874 50 0 CHAAHN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN ZINC000000169304 567821195 /nfs/dbraw/zinc/82/11/95/567821195.db2.gz DUJZUDMEISQWHO-UHFFFAOYSA-N 0 3 272.295 3.596 50 0 CHAAHN CN(C)CCN1c2ccccc2Sc2ccccc21 ZINC000000001432 567816565 /nfs/dbraw/zinc/81/65/65/567816565.db2.gz PFAXACNYGZVKMX-UHFFFAOYSA-N 0 3 270.401 3.851 50 0 in-man CHAAHN COc1ccc(CNCc2ccc(SC)cc2)cc1 ZINC000000172185 567821510 /nfs/dbraw/zinc/82/15/10/567821510.db2.gz JJULWJLJSJYAMA-UHFFFAOYSA-N 0 3 273.401 3.707 50 0 CHAAHN COc1ccc(CNCc2ccc(Cl)cc2)cc1OC ZINC000000355343 567826251 /nfs/dbraw/zinc/82/62/51/567826251.db2.gz UAYHEOFEFXRWCU-UHFFFAOYSA-N 0 3 291.778 3.647 50 0 CHAAHN c1ccc(-c2ccc(CNC[C@H]3CCCO3)cc2)cc1 ZINC000000357562 567826793 /nfs/dbraw/zinc/82/67/93/567826793.db2.gz QQYXAQMPMRUBMI-GOSISDBHSA-N 0 3 267.372 3.622 50 0 CHAAHN CN1CCC2=C(C1)[C@H](c1ccccc1)c1ccccc12 ZINC000000968340 567835272 /nfs/dbraw/zinc/83/52/72/567835272.db2.gz ISFHAYSTHMVOJR-LJQANCHMSA-N 0 3 261.368 3.921 50 0 world CHAAHN Cc1cccc(CN2CCN(c3ccccc3C)CC2)c1 ZINC000001227605 567836351 /nfs/dbraw/zinc/83/63/51/567836351.db2.gz BAZMCRLCQYGKEN-UHFFFAOYSA-N 0 3 280.415 3.626 50 0 CHAAHN CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC000001530812 567837637 /nfs/dbraw/zinc/83/76/37/567837637.db2.gz LEBVLXFERQHONN-INIZCTEOSA-N 0 3 288.435 3.897 50 0 fda CHAAHN CN(C)CCNc1cc(-c2ccccc2)nc2ccccc21 ZINC000003683168 567853576 /nfs/dbraw/zinc/85/35/76/567853576.db2.gz QWAVSGXBYFASKZ-UHFFFAOYSA-N 0 3 291.398 3.875 50 0 CHAAHN Fc1ccccc1-c1cc([C@H]2CCCCCN2)on1 ZINC000013566801 567866715 /nfs/dbraw/zinc/86/67/15/567866715.db2.gz KBRWJJFDVOZCAC-CYBMUJFWSA-N 0 3 260.312 3.685 50 0 CHAAHN Cc1oc(-c2ccoc2)nc1CN1C[C@H]2C[C@@H]1CCC2 ZINC000019146911 567877322 /nfs/dbraw/zinc/87/73/22/567877322.db2.gz XOWPHZCWVOPGJJ-OCCSQVGLSA-N 0 3 272.348 3.617 50 0 CHAAHN COc1ccc([C@H](N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000019476467 567878068 /nfs/dbraw/zinc/87/80/68/567878068.db2.gz YQCQSGAABUDZAD-CQSZACIVSA-N 0 3 281.277 3.762 50 0 CHAAHN COc1cc2c(cc1OC)[C@H](c1ccccc1)NC(C)(C)C2 ZINC000019640158 567878484 /nfs/dbraw/zinc/87/84/84/567878484.db2.gz UOIZCSYSAXLUDJ-SFHVURJKSA-N 0 3 297.398 3.718 50 0 CHAAHN CC(C)Cc1c[nH]nc1[C@@H]1CCCN(Cc2ccoc2)C1 ZINC000019744317 567878748 /nfs/dbraw/zinc/87/87/48/567878748.db2.gz OXZUQRGFRUVTHX-OAHLLOKOSA-N 0 3 287.407 3.581 50 0 CHAAHN c1ccc2c(c1)cccc2CN1CCN(C2CCCC2)CC1 ZINC000019852199 567879315 /nfs/dbraw/zinc/87/93/15/567879315.db2.gz PQZFRXWFWUNLBP-UHFFFAOYSA-N 0 3 294.442 3.900 50 0 CHAAHN CC[C@@H](C)N[C@H](C)c1ccccc1Br ZINC000019882216 567879803 /nfs/dbraw/zinc/87/98/03/567879803.db2.gz ROSKTXKLTYIKJN-NXEZZACHSA-N 0 3 256.187 3.898 50 0 CHAAHN c1ccc(-c2cc(SCCN3CCCCC3)ncn2)cc1 ZINC000012000901 567881245 /nfs/dbraw/zinc/88/12/45/567881245.db2.gz JQAMZBQGVCIKJW-UHFFFAOYSA-N 0 3 299.443 3.722 50 0 CHAAHN CN(Cc1ccccc1Br)C1CCCC1 ZINC000032917388 567886450 /nfs/dbraw/zinc/88/64/50/567886450.db2.gz ZGFIVFAJZNCZOU-UHFFFAOYSA-N 0 3 268.198 3.824 50 0 CHAAHN OCCN(Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000023281708 567888365 /nfs/dbraw/zinc/88/83/65/567888365.db2.gz DAQOQGVLOYOUPN-UHFFFAOYSA-N 0 3 291.394 3.834 50 0 CHAAHN CC(C)(C)c1ccc(OC2CNC2)c(C(C)(C)C)c1 ZINC000042769570 567891762 /nfs/dbraw/zinc/89/17/62/567891762.db2.gz RWCMNENISZVCRZ-UHFFFAOYSA-N 0 3 261.409 3.632 50 0 CHAAHN Cc1ccccc1-c1nnc(CN2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000075769253 567894576 /nfs/dbraw/zinc/89/45/76/567894576.db2.gz UPWMSCPALJQHEC-HOCLYGCPSA-N 0 3 297.402 3.810 50 0 CHAAHN CCCCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000060087752 567896826 /nfs/dbraw/zinc/89/68/26/567896826.db2.gz DDFSQLAHAFBWFZ-KRWDZBQOSA-N 0 3 254.377 3.693 50 0 CHAAHN C/C(=C\c1ccccc1)CN1CC(N2CCCC[C@@H]2C)C1 ZINC000065385203 567898473 /nfs/dbraw/zinc/89/84/73/567898473.db2.gz OMPZPSCQSYZBIV-MOKGIYGOSA-N 0 3 284.447 3.649 50 0 CHAAHN CCN(CCOc1c(C)cccc1C)Cc1ccccn1 ZINC000067840439 567900777 /nfs/dbraw/zinc/90/07/77/567900777.db2.gz GGGJYTLWGWOFEK-UHFFFAOYSA-N 0 3 284.403 3.599 50 0 CHAAHN Cc1noc(C)c1CN[C@H](C)CCc1c[nH]c2ccccc12 ZINC000067774370 567900790 /nfs/dbraw/zinc/90/07/90/567900790.db2.gz NLFVOIYUAXCMMZ-GFCCVEGCSA-N 0 3 297.402 3.884 50 0 CHAAHN CC(C)c1oc([C@@H]2CCCN2)nc1-c1ccccc1 ZINC000068576844 567900996 /nfs/dbraw/zinc/90/09/96/567900996.db2.gz ZJIIRBDGXAVPMC-ZDUSSCGKSA-N 0 3 256.349 3.890 50 0 CHAAHN C[C@@H]1CCCN1Cc1ccc(-c2cncnc2)cc1Cl ZINC000096162997 567909841 /nfs/dbraw/zinc/90/98/41/567909841.db2.gz SSMBKNPDYJDIGG-GFCCVEGCSA-N 0 3 287.794 3.781 50 0 CHAAHN COCCNCCOc1c(C(C)C)cccc1C(C)C ZINC000002930849 567937845 /nfs/dbraw/zinc/93/78/45/567937845.db2.gz ZYVHSNCOJNDKJQ-UHFFFAOYSA-N 0 3 279.424 3.548 50 0 CHAAHN Cc1ccc(CN[C@@H]2CCOc3ccccc32)cc1 ZINC000019962720 567945054 /nfs/dbraw/zinc/94/50/54/567945054.db2.gz BWQIDBABVNNJGX-MRXNPFEDSA-N 0 3 253.345 3.608 50 0 CHAAHN N[C@H](c1ccncc1)c1ccc(OCc2ccccc2)cc1 ZINC000011832624 570220642 /nfs/dbraw/zinc/22/06/42/570220642.db2.gz KQHSVUCAUIYKQD-IBGZPJMESA-N 0 3 290.366 3.709 50 0 CHAAHN Cc1cc(CN2CCC[C@H](c3ccccc3)CC2)on1 ZINC000066898249 570245790 /nfs/dbraw/zinc/24/57/90/570245790.db2.gz WKYGYCQWKATKJP-INIZCTEOSA-N 0 3 270.376 3.753 50 0 CHAAHN c1ccc2oc(CN3CCC[C@H]4CCCC[C@H]43)nc2c1 ZINC000107327419 570293707 /nfs/dbraw/zinc/29/37/07/570293707.db2.gz KSVLOICKWMICNZ-UKRRQHHQSA-N 0 3 270.376 3.982 50 0 CHAAHN O[C@@H](CNCc1ccc2ccccc2c1)c1ccccc1 ZINC000035111697 570339441 /nfs/dbraw/zinc/33/94/41/570339441.db2.gz DVNIZVFLKYHUBG-IBGZPJMESA-N 0 3 277.367 3.663 50 0 CHAAHN COc1cc([C@H](C)NCc2ccc3occc3c2)ccn1 ZINC000342287851 570354606 /nfs/dbraw/zinc/35/46/06/570354606.db2.gz USXTUEKWUBKXTQ-LBPRGKRZSA-N 0 3 282.343 3.687 50 0 CHAAHN c1cnc2sc(CN3CCC[C@@H]3C3CCCC3)nc2c1 ZINC000089807768 570368645 /nfs/dbraw/zinc/36/86/45/570368645.db2.gz IUJIWSLYCNAMTN-CQSZACIVSA-N 0 3 287.432 3.846 50 0 CHAAHN CC1(C)CCCN(CC(=O)NCCC2=CCCCC2)CC1 ZINC000170639840 570372131 /nfs/dbraw/zinc/37/21/31/570372131.db2.gz QWWXVQGWMLSSCB-UHFFFAOYSA-N 0 3 292.467 3.505 50 0 CHAAHN C[C@@H](C(=O)Nc1ccccc1)N1CC[C@H](c2ccccc2)C1 ZINC000069737533 570402198 /nfs/dbraw/zinc/40/21/98/570402198.db2.gz HULAMQHRSAXYQB-RDJZCZTQSA-N 0 3 294.398 3.503 50 0 CHAAHN COc1ccc(Nc2nc3ccc(C)cc3[nH]2)cc1 ZINC000041596091 570404152 /nfs/dbraw/zinc/40/41/52/570404152.db2.gz PBWGIAQTNKQCMD-UHFFFAOYSA-N 0 3 253.305 3.624 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CN[C@H](C)[C@@H](C)CO)o1 ZINC000077420735 570405020 /nfs/dbraw/zinc/40/50/20/570405020.db2.gz UHFIKTIOBBEJTC-WCQYABFASA-N 0 3 291.366 3.501 50 0 CHAAHN Cc1noc(C)c1CN1CCC(c2ccccc2)CC1 ZINC000193165396 570412602 /nfs/dbraw/zinc/41/26/02/570412602.db2.gz DILOYTFVKQNTKF-UHFFFAOYSA-N 0 3 270.376 3.671 50 0 CHAAHN CC1=C[C@H](C)[C@H](CN2CCO[C@H]2C(C)C)[C@@H](C)C1 ZINC000013778319 1118473655 /nfs/dbraw/zinc/47/36/55/1118473655.db2.gz ZINAYKAEPVIUEM-VGWMRTNUSA-N 0 3 251.414 3.539 50 0 CHAAHN CC(C)[C@H](NC[C@H]1CC=CCC1)c1nc(C2CC2)no1 ZINC000122949598 1120340348 /nfs/dbraw/zinc/34/03/48/1120340348.db2.gz JSERQIRYJMGKNG-JSGCOSHPSA-N 0 3 275.396 3.590 50 0 CHAAHN CC(C)c1noc(CCN[C@@H](C)c2csc(Cl)c2)n1 ZINC000191359678 1128919488 /nfs/dbraw/zinc/91/94/88/1128919488.db2.gz HJNRPVBSGAVKHM-VIFPVBQESA-N 0 3 299.827 3.801 50 0 CHAAHN CC(C)Cc1ccc(CN2CC(c3ccncc3)C2)s1 ZINC000821459976 1121926078 /nfs/dbraw/zinc/92/60/78/1121926078.db2.gz UIGYAPOTGIPXLJ-UHFFFAOYSA-N 0 3 286.444 3.941 50 0 CHAAHN CCCc1nc(CN[C@H](CCO)C2CCCCC2)cs1 ZINC000183704735 1129088686 /nfs/dbraw/zinc/08/86/86/1129088686.db2.gz PKCBVFPZTRYYDO-OAHLLOKOSA-N 0 3 296.480 3.517 50 0 CHAAHN Clc1ccccc1CN[C@H]1CCN(c2ccccc2)C1 ZINC000114909379 1129841350 /nfs/dbraw/zinc/84/13/50/1129841350.db2.gz QPTVIKKHXRUDKR-HNNXBMFYSA-N 0 3 286.806 3.709 50 0 CHAAHN O=C(Nc1ccccc1CN1CCCCC1)C1CC=CC1 ZINC000952977674 1132019019 /nfs/dbraw/zinc/01/90/19/1132019019.db2.gz YIHMFFRAZNMHDK-UHFFFAOYSA-N 0 3 284.403 3.577 50 0 CHAAHN Cc1ccc(NC(=O)CN(C)C2CCCCC2)c(Cl)c1 ZINC000007786572 230370178 /nfs/dbraw/zinc/37/01/78/230370178.db2.gz VGKSHCNUUOSNDN-UHFFFAOYSA-N 0 3 294.826 3.851 50 0 CHAAHN Cc1ccccc1[C@H](N[C@H](C)c1cnn(C)c1)C1CC1 ZINC000095967941 185046356 /nfs/dbraw/zinc/04/63/56/185046356.db2.gz BMLPANRPPYCKIC-CXAGYDPISA-N 0 3 269.392 3.530 50 0 CHAAHN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1cc2ccccc2o1 ZINC000095968128 185046927 /nfs/dbraw/zinc/04/69/27/185046927.db2.gz GWPVQKBLQIGYOR-ODXCJYRJSA-N 0 3 293.432 3.631 50 0 CHAAHN C[C@H](N[C@@H]1CCCC[C@@H]1Oc1ccccc1)c1cnccn1 ZINC000097032865 185156371 /nfs/dbraw/zinc/15/63/71/185156371.db2.gz OENMATXWESJNRB-LESCRADOSA-N 0 3 297.402 3.517 50 0 CHAAHN Cc1ccc([C@@H](C)NC[C@@H](C)c2c(C)noc2C)o1 ZINC000090727903 180032741 /nfs/dbraw/zinc/03/27/41/180032741.db2.gz QOPZJJRSBOSIGO-MWLCHTKSSA-N 0 3 262.353 3.647 50 0 CHAAHN C[C@H](CN(C)Cc1ccc2ccccc2n1)c1nccs1 ZINC000183918721 189371120 /nfs/dbraw/zinc/37/11/20/189371120.db2.gz RUJDZAZWTWKNBI-CYBMUJFWSA-N 0 3 297.427 3.927 50 0 CHAAHN CCc1ccc(C2c3cc(N)ccc3-c3oc(N)nc32)cc1 ZINC000004865799 170032900 /nfs/dbraw/zinc/03/29/00/170032900.db2.gz DIDYJOANRKTAMD-OAHLLOKOSA-N 0 3 291.354 3.562 50 0 CHAAHN c1ccc2c(c1)CCC[C@H]2NCc1ccc2c(c1)OCO2 ZINC000004891867 170036995 /nfs/dbraw/zinc/03/69/95/170036995.db2.gz UZGDMLFZPIJWMB-MRXNPFEDSA-N 0 3 281.355 3.583 50 0 CHAAHN CN(C)CCOc1ccc2ccccc2c1Br ZINC000004906728 170040122 /nfs/dbraw/zinc/04/01/22/170040122.db2.gz CBVZBXOZUIJTRI-UHFFFAOYSA-N 0 3 294.192 3.543 50 0 CHAAHN C[C@H](CN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000004980578 170048557 /nfs/dbraw/zinc/04/85/57/170048557.db2.gz QLFDXJUIELKWRJ-QGZVFWFLSA-N 0 3 280.415 3.612 50 0 CHAAHN COc1cc(CNCc2cccs2)cc(Cl)c1OC ZINC000005019269 170056392 /nfs/dbraw/zinc/05/63/92/170056392.db2.gz CJTYFJFGYGRUAM-UHFFFAOYSA-N 0 3 297.807 3.709 50 0 CHAAHN COc1ccccc1CNCc1ccc(C)cc1C ZINC000005542279 170111320 /nfs/dbraw/zinc/11/13/20/170111320.db2.gz GUIHSDUJFDRVAI-UHFFFAOYSA-N 0 3 255.361 3.602 50 0 CHAAHN COc1ccc(OC)c(CN[C@H]2CCCc3ccccc32)c1 ZINC000005720315 170132955 /nfs/dbraw/zinc/13/29/55/170132955.db2.gz XCBDQSXGQDEWGH-SFHVURJKSA-N 0 3 297.398 3.871 50 0 CHAAHN Clc1cccc(-c2ccc(CNC[C@@H]3CCCO3)o2)c1 ZINC000006697424 170226755 /nfs/dbraw/zinc/22/67/55/170226755.db2.gz HJTPZEDYTAWLQR-AWEZNQCLSA-N 0 3 291.778 3.869 50 0 CHAAHN COc1cccc(CNC2CC2)c1OCc1ccccc1 ZINC000006703688 170230522 /nfs/dbraw/zinc/23/05/22/170230522.db2.gz HUMQVLDJTIHGEP-UHFFFAOYSA-N 0 3 283.371 3.526 50 0 CHAAHN CC[C@@H](CO)NCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007538899 170290266 /nfs/dbraw/zinc/29/02/66/170290266.db2.gz DSURYYZMBWFIQW-LBPRGKRZSA-N 0 3 293.794 3.769 50 0 CHAAHN CC[C@@H](CCNCc1ccc(C)o1)NCc1ccc(C)o1 ZINC000008480547 170337296 /nfs/dbraw/zinc/33/72/96/170337296.db2.gz DLQMXCFABCMHSV-HNNXBMFYSA-N 0 3 290.407 3.538 50 0 CHAAHN c1ccc(OCCN2CCCC[C@H]2c2cccnc2)cc1 ZINC000008741158 170353319 /nfs/dbraw/zinc/35/33/19/170353319.db2.gz JZGHBBVINUYCBY-SFHVURJKSA-N 0 3 282.387 3.688 50 0 biogenic CHAAHN CN1CCC2(CC1)O[C@@H]1CCCC[C@@H]1c1sccc12 ZINC000008782741 170355896 /nfs/dbraw/zinc/35/58/96/170355896.db2.gz JVVJQXXUHSTANP-GXTWGEPZSA-N 0 3 277.433 3.725 50 0 CHAAHN CN1CCC2(CC1)O[C@H]1CCCC[C@H]1c1sccc12 ZINC000008782738 170356095 /nfs/dbraw/zinc/35/60/95/170356095.db2.gz JVVJQXXUHSTANP-OCCSQVGLSA-N 0 3 277.433 3.725 50 0 CHAAHN C[C@H](NCc1cccc(O)c1)c1cccc(Cl)c1 ZINC000020124299 171006760 /nfs/dbraw/zinc/00/67/60/171006760.db2.gz BTUJPHUQQIAJRL-NSHDSACASA-N 0 3 261.752 3.896 50 0 CHAAHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(C)s2)c1 ZINC000020187661 171052652 /nfs/dbraw/zinc/05/26/52/171052652.db2.gz GGRQPYCMIUYYIG-GFCCVEGCSA-N 0 3 288.416 3.866 50 0 CHAAHN Cc1noc(C)c1[C@H]1CCCN1Cc1ccc(C)cc1 ZINC000021720644 171321176 /nfs/dbraw/zinc/32/11/76/171321176.db2.gz IGQPYTVZFWTEFK-MRXNPFEDSA-N 0 3 270.376 3.937 50 0 CHAAHN Cc1noc(C)c1CN[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000035257776 172088934 /nfs/dbraw/zinc/08/89/34/172088934.db2.gz CLNWRRSKWPLHBE-QWRGUYRKSA-N 0 3 276.302 3.502 50 0 CHAAHN Cc1nn(C)cc1CN1CCCCC[C@H]1c1cccs1 ZINC000035538256 172244930 /nfs/dbraw/zinc/24/49/30/172244930.db2.gz YODUZVFEFNJHTM-HNNXBMFYSA-N 0 3 289.448 3.907 50 0 CHAAHN CCn1c(CN[C@@H](C)Cc2cccs2)nc2ccccc21 ZINC000038046810 174055624 /nfs/dbraw/zinc/05/56/24/174055624.db2.gz SVJIRRBDILJTHG-ZDUSSCGKSA-N 0 3 299.443 3.839 50 0 CHAAHN CSc1cccc([C@@H](N)c2cc(F)ccc2F)c1 ZINC000071790394 176262861 /nfs/dbraw/zinc/26/28/61/176262861.db2.gz AVGQIDXHXCYGQX-CQSZACIVSA-N 0 3 265.328 3.735 50 0 CHAAHN COCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000071887948 176290418 /nfs/dbraw/zinc/29/04/18/176290418.db2.gz YSEKPLJPWJCMEB-UHFFFAOYSA-N 0 3 269.388 3.725 50 0 CHAAHN CCn1ccc2ccc(CN3CC(c4ccncc4)C3)cc21 ZINC000072122526 176319867 /nfs/dbraw/zinc/31/98/67/176319867.db2.gz TUCFFYUVSBZEDS-UHFFFAOYSA-N 0 3 291.398 3.656 50 0 CHAAHN c1coc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000072165705 176331028 /nfs/dbraw/zinc/33/10/28/176331028.db2.gz XWGGGNYLTWZKRT-AWEZNQCLSA-N 0 3 295.386 3.611 50 0 CHAAHN c1nc2ccccn2c1CN[C@H]1CCCc2ccccc21 ZINC000072272611 176355199 /nfs/dbraw/zinc/35/51/99/176355199.db2.gz GAVGKCINDIYQCO-KRWDZBQOSA-N 0 3 277.371 3.502 50 0 CHAAHN c1ccc(COc2ccc(CN3CCCC3)cc2)cc1 ZINC000023282068 266022942 /nfs/dbraw/zinc/02/29/42/266022942.db2.gz KFYNBJXDHCHISD-UHFFFAOYSA-N 0 3 267.372 3.861 50 0 CHAAHN C[C@H](NCc1ccccc1Cl)[C@H](O)c1ccccc1 ZINC000019871871 326857791 /nfs/dbraw/zinc/85/77/91/326857791.db2.gz KCYXVAXVDNWVJI-LRDDRELGSA-N 0 3 275.779 3.552 50 0 CHAAHN Cc1ccc(-c2cc(CN3CCC[C@H]3C)on2)cc1 ZINC000076115186 334073151 /nfs/dbraw/zinc/07/31/51/334073151.db2.gz AJXHCLZBFQZLFZ-CYBMUJFWSA-N 0 3 256.349 3.634 50 0 CHAAHN Clc1ccc(C2(NCc3cccnc3)CCC2)cc1 ZINC000125971547 534637816 /nfs/dbraw/zinc/63/78/16/534637816.db2.gz LZZHJVACNFSNCQ-UHFFFAOYSA-N 0 3 272.779 3.904 50 0 CHAAHN Cc1cnc([C@H](C)N[C@H](C)Cc2ccsc2)s1 ZINC000096479080 534658403 /nfs/dbraw/zinc/65/84/03/534658403.db2.gz GYLBFPCIJHFZGC-KOLCDFICSA-N 0 3 266.435 3.795 50 0 CHAAHN CSc1ccc(CN[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000019872148 526005519 /nfs/dbraw/zinc/00/55/19/526005519.db2.gz IAOBRCUYXDCAQZ-GUYCJALGSA-N 0 3 287.428 3.620 50 0 CHAAHN Cc1ccccc1-c1nnc(CN2CCC[C@H]3CCC[C@H]32)o1 ZINC000252481278 566973546 /nfs/dbraw/zinc/97/35/46/566973546.db2.gz UPWMSCPALJQHEC-GDBMZVCRSA-N 0 3 297.402 3.810 50 0 CHAAHN Cc1ccccc1-c1nnc(CN2CCC[C@@H]3CCC[C@H]32)o1 ZINC000252481279 566973662 /nfs/dbraw/zinc/97/36/62/566973662.db2.gz UPWMSCPALJQHEC-GOEBONIOSA-N 0 3 297.402 3.810 50 0 CHAAHN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1C ZINC000036104444 566993541 /nfs/dbraw/zinc/99/35/41/566993541.db2.gz OZRXTOJMDPWTGY-LJQANCHMSA-N 0 3 283.415 3.768 50 0 CHAAHN CC1=C[C@H](C)[C@H](CN2CCO[C@H]2C(C)C)[C@H](C)C1 ZINC000239439023 567010065 /nfs/dbraw/zinc/01/00/65/567010065.db2.gz ZINAYKAEPVIUEM-FZKCQIBNSA-N 0 3 251.414 3.539 50 0 CHAAHN Cc1ccc(-c2cncc(CN3CCCC3)c2)cc1 ZINC000037553701 567067910 /nfs/dbraw/zinc/06/79/10/567067910.db2.gz RZYPWIAPIYTSMT-UHFFFAOYSA-N 0 3 252.361 3.653 50 0 CHAAHN CCC[C@]12CC[C@@H]3c4ccc(O)cc4CCN3[C@@H]1CCC2=O ZINC000096028058 567139417 /nfs/dbraw/zinc/13/94/17/567139417.db2.gz KKAVQDMECOIUDA-LMMKCTJWSA-N 0 3 299.414 3.603 50 0 CHAAHN c1ccc(O[C@@H]2CCCN[C@H]2c2ccccc2)cc1 ZINC000096027212 567139452 /nfs/dbraw/zinc/13/94/52/567139452.db2.gz NMSLARHWBMBDOA-SJORKVTESA-N 0 3 253.345 3.559 50 0 CHAAHN CCO[C@@H]1C[C@H](N[C@H](c2nccs2)C2CC2)C12CCC2 ZINC000230223181 567161382 /nfs/dbraw/zinc/16/13/82/567161382.db2.gz PGEDMXQKTUGDRT-MJBXVCDLSA-N 0 3 292.448 3.532 50 0 CHAAHN c1coc(CNc2c3c(nc4ccccc42)CCC3)c1 ZINC000000122793 567818941 /nfs/dbraw/zinc/81/89/41/567818941.db2.gz IVFZEZZTZUDYCQ-UHFFFAOYSA-N 0 3 264.328 3.929 50 0 CHAAHN CN(C)CCC(=O)[C@H](Cc1ccccc1)c1ccccc1 ZINC000000346304 567825900 /nfs/dbraw/zinc/82/59/00/567825900.db2.gz CKBPBVOQBKBRML-GOSISDBHSA-N 0 3 281.399 3.534 50 0 CHAAHN c1ccc(-c2ccc(CNC[C@@H]3CCCO3)cc2)cc1 ZINC000000357564 567826797 /nfs/dbraw/zinc/82/67/97/567826797.db2.gz QQYXAQMPMRUBMI-SFHVURJKSA-N 0 3 267.372 3.622 50 0 CHAAHN O=C(c1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000002514489 567846435 /nfs/dbraw/zinc/84/64/35/567846435.db2.gz SBKBEDMRMXTWFQ-UHFFFAOYSA-N 0 3 279.383 3.904 50 0 CHAAHN Cc1ccccc1C(=O)c1ccc(CN2CCCC2)cc1 ZINC000002514545 567846454 /nfs/dbraw/zinc/84/64/54/567846454.db2.gz LRULAXYCVLUNAR-UHFFFAOYSA-N 0 3 279.383 3.822 50 0 CHAAHN C[C@H]1CN(C2CCC(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000003683638 567853659 /nfs/dbraw/zinc/85/36/59/567853659.db2.gz OWBYPXYTTWMOTK-HESLUPGFSA-N 0 3 253.430 3.701 50 0 CHAAHN C[C@H](CN1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1F ZINC000003904959 567854170 /nfs/dbraw/zinc/85/41/70/567854170.db2.gz RVQIYLDWJBKUAL-HZSPNIEDSA-N 0 3 293.382 3.634 50 0 CHAAHN C[C@H](CCc1ccccc1)NCc1cnc(Cl)s1 ZINC000005721008 567859719 /nfs/dbraw/zinc/85/97/19/567859719.db2.gz OIWOVKUIMUZSTC-LLVKDONJSA-N 0 3 280.824 3.907 50 0 CHAAHN Cn1cccc1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126875966 567860786 /nfs/dbraw/zinc/86/07/86/567860786.db2.gz SBUANZRZJUIOGK-AWEZNQCLSA-N 0 3 295.386 3.546 50 0 CHAAHN CC(C)NCc1ccccc1OCc1ccccc1 ZINC000010435785 567861306 /nfs/dbraw/zinc/86/13/06/567861306.db2.gz GTNGUPMJCARYLB-UHFFFAOYSA-N 0 3 255.361 3.764 50 0 CHAAHN C/C(=C\c1ccccc1)CN(CCO)Cc1ccccc1 ZINC000012342821 567862513 /nfs/dbraw/zinc/86/25/13/567862513.db2.gz IGZJDLMERVSOCW-SAPNQHFASA-N 0 3 281.399 3.584 50 0 CHAAHN Cc1cccc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)n1 ZINC000012448128 567863722 /nfs/dbraw/zinc/86/37/22/567863722.db2.gz YQAJEANRKGUCNZ-GOSISDBHSA-N 0 3 299.393 3.606 50 0 CHAAHN Cc1nc(-c2ccccc2Br)sc1[C@H](C)N ZINC000042288996 567891224 /nfs/dbraw/zinc/89/12/24/567891224.db2.gz AJBZVMQIODFKQN-ZETCQYMHSA-N 0 3 297.221 3.901 50 0 CHAAHN CCN(CC(=O)Nc1ccccc1Cl)C1CCCCC1 ZINC000014136118 567868395 /nfs/dbraw/zinc/86/83/95/567868395.db2.gz HPUWFQOSNXOMNV-UHFFFAOYSA-N 0 3 294.826 3.933 50 0 CHAAHN Cn1cccc1[C@H]1CCCN1Cc1cccc2cccnc21 ZINC000032901352 567871200 /nfs/dbraw/zinc/87/12/00/567871200.db2.gz BQOIKWIZARSYFR-GOSISDBHSA-N 0 3 291.398 3.910 50 0 CHAAHN Cc1ccc(-c2ccc(CNCCN(C)C)o2)cc1Cl ZINC000019214413 567877226 /nfs/dbraw/zinc/87/72/26/567877226.db2.gz URMQYESPAPKZIR-UHFFFAOYSA-N 0 3 292.810 3.560 50 0 CHAAHN C[C@@H]1CCC[C@H](N2CCN(Cc3ccccc3F)CC2)C1 ZINC000019842431 567879125 /nfs/dbraw/zinc/87/91/25/567879125.db2.gz YQJPGSDHPPYAJK-WBVHZDCISA-N 0 3 290.426 3.522 50 0 CHAAHN COCc1cccc(CNCc2cccc3[nH]ccc32)c1 ZINC000070938918 567885169 /nfs/dbraw/zinc/88/51/69/567885169.db2.gz OAUQAILWZPODCT-UHFFFAOYSA-N 0 3 280.371 3.604 50 0 CHAAHN C[C@@H]1CC[C@@H](N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000000214851 567887517 /nfs/dbraw/zinc/88/75/17/567887517.db2.gz ZRLLHUDFZDCCPR-CZUORRHYSA-N 0 3 278.827 3.651 50 0 CHAAHN Fc1cccc([C@@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000019300567 567888043 /nfs/dbraw/zinc/88/80/43/567888043.db2.gz XRGMJPZNCWYTRL-INIZCTEOSA-N 0 3 266.319 3.542 50 0 biogenic CHAAHN CC[C@H](C)[C@@H](C)NCc1ccccc1Br ZINC000042419223 567891664 /nfs/dbraw/zinc/89/16/64/567891664.db2.gz WDTWUBOMMXEIHP-WDEREUQCSA-N 0 3 270.214 3.973 50 0 CHAAHN CC(C)[C@@H](C)N(Cc1ccco1)Cc1cccnc1 ZINC000055224938 567894189 /nfs/dbraw/zinc/89/41/89/567894189.db2.gz KNKRSDHBHHZXPF-CQSZACIVSA-N 0 3 258.365 3.721 50 0 CHAAHN CCc1nc(C)c([C@@H](C)N(C)CCc2ccccn2)s1 ZINC000096424498 567897042 /nfs/dbraw/zinc/89/70/42/567897042.db2.gz GWJJNDTZEWSBMC-CYBMUJFWSA-N 0 3 289.448 3.644 50 0 CHAAHN COCCN(CC[C@@H](C)SC)Cc1sccc1C ZINC000063833370 567897731 /nfs/dbraw/zinc/89/77/31/567897731.db2.gz SYNURGAOHVCHBU-CYBMUJFWSA-N 0 3 287.494 3.647 50 0 CHAAHN Cc1ccc(NC(=O)CNC[C@H](C)c2ccccc2)c(C)c1 ZINC000065372075 567898572 /nfs/dbraw/zinc/89/85/72/567898572.db2.gz QRIBZXJRBHJZRN-INIZCTEOSA-N 0 3 296.414 3.635 50 0 CHAAHN CNCc1cc(-c2ccc(C)c3ncccc23)ccc1OC ZINC000067921264 567900924 /nfs/dbraw/zinc/90/09/24/567900924.db2.gz HBEMLELEKCXEGL-UHFFFAOYSA-N 0 3 292.382 3.938 50 0 CHAAHN Cc1ccc(CN(C)Cc2cccc3cnccc32)o1 ZINC000072433401 567902621 /nfs/dbraw/zinc/90/26/21/567902621.db2.gz OISIPLFKCYRBLI-UHFFFAOYSA-N 0 3 266.344 3.768 50 0 CHAAHN Cc1cc(-c2ccc(CN3CCCCC3)cn2)ccc1O ZINC000097347129 567910528 /nfs/dbraw/zinc/91/05/28/567910528.db2.gz CMTPMZMMTFQOSK-UHFFFAOYSA-N 0 3 282.387 3.749 50 0 CHAAHN CN(Cc1ccncc1)C[C@@]1(c2ccccc2)CC1(C)C ZINC000097679873 567910946 /nfs/dbraw/zinc/91/09/46/567910946.db2.gz IMXZNFFBZJNWLL-LJQANCHMSA-N 0 3 280.415 3.881 50 0 CHAAHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)CC(F)(F)F ZINC000134912093 567929404 /nfs/dbraw/zinc/92/94/04/567929404.db2.gz YGYKRTPNDDCTIZ-UWVGGRQHSA-N 0 3 291.361 3.938 50 0 CHAAHN O=C(CCN1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000000177652 567935310 /nfs/dbraw/zinc/93/53/10/567935310.db2.gz RYCCFHYTRHTQGU-GOSISDBHSA-N 0 3 279.383 3.749 50 0 CHAAHN C[C@H](CN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019849849 567944828 /nfs/dbraw/zinc/94/48/28/567944828.db2.gz RIIITVMIXRZTNP-GOSISDBHSA-N 0 3 294.442 3.608 50 0 CHAAHN OC1CCC(NC(c2ccccc2)c2ccccc2)CC1 ZINC000019919026 567945040 /nfs/dbraw/zinc/94/50/40/567945040.db2.gz UCFHNRASWJXBGB-UHFFFAOYSA-N 0 3 281.399 3.669 50 0 CHAAHN CO[C@H]1CCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000214995488 567947112 /nfs/dbraw/zinc/94/71/12/567947112.db2.gz MQWKRASGGZCVSL-AWEZNQCLSA-N 0 3 273.401 3.636 50 0 CHAAHN CCN(Cc1ccc(OC(F)F)cc1)C[C@@H]1CCCCO1 ZINC000216331294 567947746 /nfs/dbraw/zinc/94/77/46/567947746.db2.gz XVDPBHYJDVAIOC-HNNXBMFYSA-N 0 3 299.361 3.679 50 0 CHAAHN COCCCNCc1ccc(-c2cccc(F)c2C)o1 ZINC000225391957 567953269 /nfs/dbraw/zinc/95/32/69/567953269.db2.gz IDIBDFSYRYIABP-UHFFFAOYSA-N 0 3 277.339 3.520 50 0 CHAAHN CO[C@@H](c1ccccc1)[C@H](C)NCc1sc(C)nc1C ZINC000225621878 567954349 /nfs/dbraw/zinc/95/43/49/567954349.db2.gz OTSZKCCKRPYESI-BLLLJJGKSA-N 0 3 290.432 3.626 50 0 CHAAHN CCc1ccccc1NC(=O)CN(C)C[C@H](C)CC(C)C ZINC000225626106 567954474 /nfs/dbraw/zinc/95/44/74/567954474.db2.gz DHUUFUYVSXATHV-OAHLLOKOSA-N 0 3 290.451 3.802 50 0 CHAAHN Cn1ncc2c1CCC[C@H]2NCc1ccc2ccccc2c1 ZINC000030908717 567955562 /nfs/dbraw/zinc/95/55/62/567955562.db2.gz YJGZLJSRMKPPTC-GOSISDBHSA-N 0 3 291.398 3.741 50 0 CHAAHN CSC(=N)NC(c1ccccc1)c1ccccc1 ZINC000016970166 570225499 /nfs/dbraw/zinc/22/54/99/570225499.db2.gz ZYDJYANHPBDRBI-UHFFFAOYSA-N 0 3 256.374 3.663 50 0 CHAAHN C/C(=C\c1ccco1)CN(C)[C@@H](C)Cc1cc(C)ccn1 ZINC000055307933 570242526 /nfs/dbraw/zinc/24/25/26/570242526.db2.gz NZDKTQXHLOSPPK-SFKKXYGYSA-N 0 3 284.403 3.949 50 0 CHAAHN CCN(Cc1ccccc1)Cc1ccccc1OC ZINC000013943844 570285246 /nfs/dbraw/zinc/28/52/46/570285246.db2.gz OTAQEZHABFFRMA-UHFFFAOYSA-N 0 3 255.361 3.717 50 0 CHAAHN CN(Cc1ccc([C@@H]2CCCO2)s1)C1CCSCC1 ZINC000215846980 570304156 /nfs/dbraw/zinc/30/41/56/570304156.db2.gz STQCKRVYCAXNHJ-AWEZNQCLSA-N 0 3 297.489 3.927 50 0 CHAAHN CCc1nc2c(c(C)c(C)n2Cc2cccnc2)c(N)c1C ZINC000012324678 570307957 /nfs/dbraw/zinc/30/79/57/570307957.db2.gz CGAWNZQQLPOZBK-UHFFFAOYSA-N 0 3 294.402 3.549 50 0 CHAAHN OC1CCN(Cc2ccc(C3CCCCC3)s2)CC1 ZINC000219151866 570309490 /nfs/dbraw/zinc/30/94/90/570309490.db2.gz HLCOKMRIMQUMSU-UHFFFAOYSA-N 0 3 279.449 3.753 50 0 CHAAHN CCn1ccnc1[C@H]1CCCCN1CCc1ccc(C)cc1 ZINC000253430922 570385569 /nfs/dbraw/zinc/38/55/69/570385569.db2.gz YLIJJKMXTWJCNY-GOSISDBHSA-N 0 3 297.446 3.981 50 0 CHAAHN COc1ccccc1CN[C@@H]1CCCc2ccccc21 ZINC000002734466 570398344 /nfs/dbraw/zinc/39/83/44/570398344.db2.gz NKUSQXVRDAGVMH-QGZVFWFLSA-N 0 3 267.372 3.862 50 0 CHAAHN Cc1cscc1CN[C@@H]1CCCc2ccc(O)cc21 ZINC000225452080 1128164270 /nfs/dbraw/zinc/16/42/70/1128164270.db2.gz NTCAPZHRYKJTLI-MRXNPFEDSA-N 0 3 273.401 3.929 50 0 CHAAHN Cc1ccccc1C[C@H](NCC1=CCCOC1)c1ccco1 ZINC000863983303 1128718761 /nfs/dbraw/zinc/71/87/61/1128718761.db2.gz FNZGWDKCLASMFV-SFHVURJKSA-N 0 3 297.398 3.808 50 0 CHAAHN C[C@@H](CCc1ccco1)NCc1nc2ccccc2o1 ZINC000679445336 1118076548 /nfs/dbraw/zinc/07/65/48/1118076548.db2.gz YFWXGEGHRXYEFN-LBPRGKRZSA-N 0 3 270.332 3.532 50 0 CHAAHN COc1ccc([C@@H](NCc2cccc(O)c2)C2CC2)cc1 ZINC000073053013 1119143364 /nfs/dbraw/zinc/14/33/64/1119143364.db2.gz NSHGQAZBDXWKSZ-SFHVURJKSA-N 0 3 283.371 3.642 50 0 CHAAHN C[C@@H](NCc1cccn1C)c1cccc(Br)c1 ZINC000050595212 1119143823 /nfs/dbraw/zinc/14/38/23/1119143823.db2.gz BDRVSLJNWUIILY-LLVKDONJSA-N 0 3 293.208 3.638 50 0 CHAAHN CCOc1ccc(CN2CCC[C@@H](COC)C2)cc1Cl ZINC000215034225 1125426000 /nfs/dbraw/zinc/42/60/00/1125426000.db2.gz WHDFEKRYJMVYRP-CQSZACIVSA-N 0 3 297.826 3.597 50 0 CHAAHN c1c2ccccc2oc1CN[C@@H]1COc2ccccc2C1 ZINC000020905822 1129848981 /nfs/dbraw/zinc/84/89/81/1129848981.db2.gz OBGXRUUWSUMLKA-HNNXBMFYSA-N 0 3 279.339 3.526 50 0 CHAAHN Cc1c2cc(C)ccc2oc1CNCc1cccc(CO)c1 ZINC000952966590 1132016862 /nfs/dbraw/zinc/01/68/62/1132016862.db2.gz IFBUUYIBPNTRBB-UHFFFAOYSA-N 0 3 295.382 3.832 50 0 CHAAHN c1cc(C2CCN(Cc3ccncc3)CC2)cs1 ZINC000186925932 230395847 /nfs/dbraw/zinc/39/58/47/230395847.db2.gz GBNYPXWIQXWNEK-UHFFFAOYSA-N 0 3 258.390 3.523 50 0 CHAAHN CCN1CC=C(c2ccccc2)[C@@H](C(=O)OC2CCCC2)C1 ZINC000095918273 185030537 /nfs/dbraw/zinc/03/05/37/185030537.db2.gz AGFUTASWCUDNBN-SFHVURJKSA-N 0 3 299.414 3.508 50 0 CHAAHN Cc1cc(CN(C)C)cc(NC(=O)CCC2CCCC2)c1 ZINC000089585353 179825404 /nfs/dbraw/zinc/82/54/04/179825404.db2.gz YEMBHARUAXDOAB-UHFFFAOYSA-N 0 3 288.435 3.966 50 0 CHAAHN COc1ccnc(CN2CCC[C@H]2c2ccccc2C)c1 ZINC000106933637 186152225 /nfs/dbraw/zinc/15/22/25/186152225.db2.gz LCHBMZMJMNPJHM-SFHVURJKSA-N 0 3 282.387 3.736 50 0 CHAAHN Cc1cc(Cl)cc(C)c1OCCN1CCCCC1 ZINC000005005194 170053941 /nfs/dbraw/zinc/05/39/41/170053941.db2.gz FCBDVUHWAAMJFJ-UHFFFAOYSA-N 0 3 267.800 3.822 50 0 CHAAHN Cc1ccc2c(CN3C[C@@H](C)C[C@H](C)C3)cc(=O)oc2c1C ZINC000005252578 170080099 /nfs/dbraw/zinc/08/00/99/170080099.db2.gz VGENLWPZZMPKNW-STQMWFEESA-N 0 3 299.414 3.888 50 0 biogenic CHAAHN CC[C@H](CO)NCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007538904 170290388 /nfs/dbraw/zinc/29/03/88/170290388.db2.gz DSURYYZMBWFIQW-GFCCVEGCSA-N 0 3 293.794 3.769 50 0 CHAAHN C[C@@H](CN1[C@H](C)CCC[C@@H]1C)OC(=O)c1cccc(F)c1 ZINC000008553295 170339902 /nfs/dbraw/zinc/33/99/02/170339902.db2.gz UBNHRPVZGCZIMM-MJBXVCDLSA-N 0 3 293.382 3.634 50 0 CHAAHN COc1ccccc1/C=C/CN(C)CCc1ccccc1 ZINC000008675638 170345151 /nfs/dbraw/zinc/34/51/51/170345151.db2.gz GFAKSDPNSJXBHK-XYOKQWHBSA-N 0 3 281.399 3.883 50 0 CHAAHN Cc1[nH]c2ccc(F)cc2c(=O)c1CN1CCC(C)CC1 ZINC000008717119 170349211 /nfs/dbraw/zinc/34/92/11/170349211.db2.gz QYXOHLJFRXUBPV-UHFFFAOYSA-N 0 3 288.366 3.620 50 0 CHAAHN c1ccc(OCCN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000008739706 170353589 /nfs/dbraw/zinc/35/35/89/170353589.db2.gz JZGHBBVINUYCBY-GOSISDBHSA-N 0 3 282.387 3.688 50 0 biogenic CHAAHN C[C@H]1NCc2c3c(sc2-n2cccc21)CCCC3 ZINC000020865009 171276966 /nfs/dbraw/zinc/27/69/66/171276966.db2.gz RNXJMUHDATVILC-SNVBAGLBSA-N 0 3 258.390 3.582 50 0 CHAAHN CC[C@H]1CN(Cc2cc(F)cc(Cl)c2)CCN1C(C)C ZINC000072168070 176331683 /nfs/dbraw/zinc/33/16/83/176331683.db2.gz ZIBFKRMCSCHCRY-INIZCTEOSA-N 0 3 298.833 3.784 50 0 CHAAHN Cc1nn(C)c(Cl)c1CN(CC1CC1)C1CCCCC1 ZINC000078460043 177343215 /nfs/dbraw/zinc/34/32/15/177343215.db2.gz CSLCWZIWJDXDQJ-UHFFFAOYSA-N 0 3 295.858 3.927 50 0 CHAAHN Cc1ccc(C)c([C@H](NC2CCOCC2)c2cccnc2)c1 ZINC000534587715 328316195 /nfs/dbraw/zinc/31/61/95/328316195.db2.gz RCCJBGXLCMHFNA-LJQANCHMSA-N 0 3 296.414 3.556 50 0 CHAAHN Cc1noc(C)c1CN1CCC[C@H]1c1ccccc1 ZINC000054993333 330321463 /nfs/dbraw/zinc/32/14/63/330321463.db2.gz LFJHNAJSHNMNBM-INIZCTEOSA-N 0 3 256.349 3.629 50 0 CHAAHN Cc1ccsc1[C@@H](C)NCc1sc(C)nc1C ZINC000097017131 534480735 /nfs/dbraw/zinc/48/07/35/534480735.db2.gz ZPJRWUSFBNNPNB-SNVBAGLBSA-N 0 3 266.435 3.981 50 0 CHAAHN CC(C)C[C@@H](NC1CSCCSC1)c1cccnc1 ZINC000067955853 567900990 /nfs/dbraw/zinc/90/09/90/567900990.db2.gz BERAAPHPPWCDNF-OAHLLOKOSA-N 0 3 296.505 3.607 50 0 CHAAHN CCCCC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000002288996 570384667 /nfs/dbraw/zinc/38/46/67/570384667.db2.gz ONFRGMUPERGCQP-UHFFFAOYSA-N 0 3 259.393 3.658 50 0 CHAAHN Cc1ccc2ccccc2c1NC(=O)NC(C)(C)CN(C)C ZINC000299766587 566853746 /nfs/dbraw/zinc/85/37/46/566853746.db2.gz FTPIXJNGYHEEQQ-UHFFFAOYSA-N 0 3 299.418 3.610 50 0 CHAAHN O=C(CC1CCCC1)Nc1ccccc1CN1CCCC1 ZINC000084504692 566883285 /nfs/dbraw/zinc/88/32/85/566883285.db2.gz WEMRPHLVSSCTQR-UHFFFAOYSA-N 0 3 286.419 3.801 50 0 CHAAHN FC(F)(F)CCN(Cc1ccncc1)C1CCCC1 ZINC000084615143 566885837 /nfs/dbraw/zinc/88/58/37/566885837.db2.gz PUHISKTXKUPGLX-UHFFFAOYSA-N 0 3 272.314 3.779 50 0 CHAAHN CC(C)OP(=O)(OC(C)C)[C@H](N)Cc1ccccc1 ZINC000035078609 566893822 /nfs/dbraw/zinc/89/38/22/566893822.db2.gz KDKSZCWXFQVNPD-AWEZNQCLSA-N 0 3 285.324 3.557 50 0 CHAAHN CCCCN(CCCC)CC1OCc2ccccc2CO1 ZINC000001741316 566958078 /nfs/dbraw/zinc/95/80/78/566958078.db2.gz CSKUMZNKDOLGDT-UHFFFAOYSA-N 0 3 291.435 3.962 50 0 CHAAHN CC[C@H](N[C@@H](C)c1ccc(C)s1)c1cnn(C)c1 ZINC000195540559 567070211 /nfs/dbraw/zinc/07/02/11/567070211.db2.gz BUAUKORTRXMEAI-AAEUAGOBSA-N 0 3 263.410 3.592 50 0 CHAAHN CN(C)CC[C@@H]1Cc2ccc(F)cc2C(=O)c2ccccc21 ZINC000019865043 567087464 /nfs/dbraw/zinc/08/74/64/567087464.db2.gz AJDSKAIDFXGPJF-CQSZACIVSA-N 0 3 297.373 3.648 50 0 CHAAHN Cc1cc(NC[C@H]2CCO[C@@H](C)C2)c2ccccc2n1 ZINC000095458015 567134861 /nfs/dbraw/zinc/13/48/61/567134861.db2.gz ZFRBPGDWGDAJRV-KBPBESRZSA-N 0 3 270.376 3.770 50 0 CHAAHN CNc1ccc(Cl)cc1[C@H]1NCCc2ccccc21 ZINC000000056535 567817139 /nfs/dbraw/zinc/81/71/39/567817139.db2.gz XRUIERQCHYNNEP-INIZCTEOSA-N 0 3 272.779 3.617 50 0 biogenic CHAAHN O=C(CCN1CC[C@@H](c2ccccc2)C1)c1cccs1 ZINC000000177673 567821873 /nfs/dbraw/zinc/82/18/73/567821873.db2.gz PNZHYJLPSXGIOW-OAHLLOKOSA-N 0 3 285.412 3.810 50 0 aggregator CHAAHN Fc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000000227022 567822315 /nfs/dbraw/zinc/82/23/15/567822315.db2.gz GCHCRHBAGFHFMV-UHFFFAOYSA-N 0 3 284.378 3.902 50 0 CHAAHN Clc1ccc(CN2c3ccccc3N3CCCN=C23)cc1 ZINC000000301943 567824501 /nfs/dbraw/zinc/82/45/01/567824501.db2.gz NUDBAUWWKREJBT-UHFFFAOYSA-N 0 3 297.789 3.926 50 0 CHAAHN CCc1cc(Br)cc2c(CN(C)C)c[nH]c21 ZINC000000392813 567828836 /nfs/dbraw/zinc/82/88/36/567828836.db2.gz XFMPEYGGCHVJJH-UHFFFAOYSA-N 0 3 281.197 3.554 50 0 CHAAHN Cc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000001227299 567836493 /nfs/dbraw/zinc/83/64/93/567836493.db2.gz XAZPHVWPNBGRDI-UHFFFAOYSA-N 0 3 294.442 3.934 50 0 CHAAHN Cc1cccc(CN2CCN(c3cccc(C)c3C)CC2)c1 ZINC000001227761 567836539 /nfs/dbraw/zinc/83/65/39/567836539.db2.gz HHYYFOFOXFKBRU-UHFFFAOYSA-N 0 3 294.442 3.934 50 0 CHAAHN CNCc1cc(-c2ccc(F)cc2Cl)ccc1OC ZINC000067714055 567853251 /nfs/dbraw/zinc/85/32/51/567853251.db2.gz PTSCKDOYNRVDMX-UHFFFAOYSA-N 0 3 279.742 3.874 50 0 CHAAHN C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1ccc(F)cc1 ZINC000003904976 567854359 /nfs/dbraw/zinc/85/43/59/567854359.db2.gz UWBNPVDYTHSVEP-MGPQQGTHSA-N 0 3 293.382 3.634 50 0 CHAAHN CCOc1ccc(Br)cc1[C@@H]1CCCCN1 ZINC000012404751 567862965 /nfs/dbraw/zinc/86/29/65/567862965.db2.gz GBHXWRIXBNBGGJ-LBPRGKRZSA-N 0 3 284.197 3.662 50 0 CHAAHN Cn1cccc1[C@@H]1CCCN1Cc1cccc2cccnc21 ZINC000032901351 567871169 /nfs/dbraw/zinc/87/11/69/567871169.db2.gz BQOIKWIZARSYFR-SFHVURJKSA-N 0 3 291.398 3.910 50 0 CHAAHN CCc1ccc(CN2CCN(C(CC)CC)CC2)cc1 ZINC000019367262 567878123 /nfs/dbraw/zinc/87/81/23/567878123.db2.gz ZQGYZCRLUWQXLV-UHFFFAOYSA-N 0 3 274.452 3.555 50 0 CHAAHN COc1ccc([C@@H](N)c2ccccc2Cl)c(C)c1 ZINC000019972055 567880380 /nfs/dbraw/zinc/88/03/80/567880380.db2.gz YFVMDLXWNUANBF-OAHLLOKOSA-N 0 3 261.752 3.705 50 0 CHAAHN CCOc1ccc([C@@H](N)c2ccccc2Cl)cc1 ZINC000019967410 567880424 /nfs/dbraw/zinc/88/04/24/567880424.db2.gz KSGHJSOUOLCSCO-OAHLLOKOSA-N 0 3 261.752 3.787 50 0 CHAAHN Oc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000000200788 567883978 /nfs/dbraw/zinc/88/39/78/567883978.db2.gz XEJDRKUOLXUTOC-UHFFFAOYSA-N 0 3 281.399 3.847 50 0 CHAAHN CN(CCc1ccccn1)Cc1ccccc1C(F)(F)F ZINC000023114872 567888465 /nfs/dbraw/zinc/88/84/65/567888465.db2.gz XGIDELUODWAZGV-UHFFFAOYSA-N 0 3 294.320 3.775 50 0 CHAAHN CCN[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000036819983 567889699 /nfs/dbraw/zinc/88/96/99/567889699.db2.gz XCLOFVSSVHNWOB-KRWDZBQOSA-N 0 3 254.377 3.904 50 0 CHAAHN CC[C@@H](C)[C@H](C)NCc1ccccc1Br ZINC000042419224 567891695 /nfs/dbraw/zinc/89/16/95/567891695.db2.gz WDTWUBOMMXEIHP-MNOVXSKESA-N 0 3 270.214 3.973 50 0 CHAAHN Cc1ccsc1CN1CCN(c2ccccc2C)CC1 ZINC000055542872 567894586 /nfs/dbraw/zinc/89/45/86/567894586.db2.gz DGCDSQJDYVSRBI-UHFFFAOYSA-N 0 3 286.444 3.687 50 0 CHAAHN Fc1ccc(COC2CCN(Cc3ccco3)CC2)cc1 ZINC000097051439 567903525 /nfs/dbraw/zinc/90/35/25/567903525.db2.gz GSFWHXDJBQPZKW-UHFFFAOYSA-N 0 3 289.350 3.600 50 0 CHAAHN C[C@H](c1ccncc1)N(C)Cc1cccc2[nH]ccc21 ZINC000097113706 567904733 /nfs/dbraw/zinc/90/47/33/567904733.db2.gz IXWXYVOCHVMNBE-CYBMUJFWSA-N 0 3 265.360 3.756 50 0 CHAAHN Cc1n[nH]cc1CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000097159087 567904962 /nfs/dbraw/zinc/90/49/62/567904962.db2.gz QDZPGDADJZAIOO-LJQANCHMSA-N 0 3 291.398 3.792 50 0 CHAAHN c1ccc(COC2=CCCN(Cc3ccccc3)C2)cc1 ZINC000098213372 567911628 /nfs/dbraw/zinc/91/16/28/567911628.db2.gz WKMTXDBUDKSLHT-UHFFFAOYSA-N 0 3 279.383 3.993 50 0 CHAAHN Clc1ccccc1CN1c2ccccc2N2CCCN=C12 ZINC000000274226 567926055 /nfs/dbraw/zinc/92/60/55/567926055.db2.gz IYOKDDICPRJDBD-UHFFFAOYSA-N 0 3 297.789 3.926 50 0 CHAAHN CC(C)Oc1ccc(CN[C@@H]2COc3ccccc3C2)cc1 ZINC000012437478 567940093 /nfs/dbraw/zinc/94/00/93/567940093.db2.gz QMWCFDFPTGVASU-KRWDZBQOSA-N 0 3 297.398 3.567 50 0 CHAAHN CC(C)Oc1ccc(CN[C@H]2COc3ccccc3C2)cc1 ZINC000012437480 567940281 /nfs/dbraw/zinc/94/02/81/567940281.db2.gz QMWCFDFPTGVASU-QGZVFWFLSA-N 0 3 297.398 3.567 50 0 CHAAHN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C[C@H](C)C[C@H](C)C1 ZINC000102508314 567941669 /nfs/dbraw/zinc/94/16/69/567941669.db2.gz SGGPQDFATTWKIN-FRRDWIJNSA-N 0 3 294.826 3.645 50 0 CHAAHN CCc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000019537051 567944639 /nfs/dbraw/zinc/94/46/39/567944639.db2.gz DQXABZBQGOYQLP-UHFFFAOYSA-N 0 3 294.442 3.567 50 0 CHAAHN COc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1 ZINC000019899658 567945110 /nfs/dbraw/zinc/94/51/10/567945110.db2.gz ZRWMHLVIVRKHBX-SFHVURJKSA-N 0 3 267.372 3.862 50 0 CHAAHN CCC[C@H](O)CNCc1ccc(-c2cccc(F)c2C)o1 ZINC000225392821 567953308 /nfs/dbraw/zinc/95/33/08/567953308.db2.gz KLBYEFQGHMBIJS-ZDUSSCGKSA-N 0 3 291.366 3.645 50 0 CHAAHN O=C(c1ccc(Cl)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000011879747 570220851 /nfs/dbraw/zinc/22/08/51/570220851.db2.gz KFDBIWMJGIWFNG-ZDUSSCGKSA-N 0 3 277.795 3.787 50 0 CHAAHN Cc1cc([C@@H]2CCCN2Cc2cccc(C)c2)on1 ZINC000052008341 570238572 /nfs/dbraw/zinc/23/85/72/570238572.db2.gz MRWIRYKAMJKMDW-HNNXBMFYSA-N 0 3 256.349 3.629 50 0 CHAAHN C/C(=C\c1ccco1)CN(C)[C@H](C)Cc1cc(C)ccn1 ZINC000055307931 570242367 /nfs/dbraw/zinc/24/23/67/570242367.db2.gz NZDKTQXHLOSPPK-RBFDBLARSA-N 0 3 284.403 3.949 50 0 CHAAHN CC[C@H](C)N(Cc1ccsc1)Cc1cccnc1 ZINC000055392892 570243247 /nfs/dbraw/zinc/24/32/47/570243247.db2.gz ZVGAFHPAWVCKAB-ZDUSSCGKSA-N 0 3 260.406 3.944 50 0 CHAAHN c1ccc([C@@H]2CCCN(Cc3cccnc3)CC2)cc1 ZINC000066897880 570245771 /nfs/dbraw/zinc/24/57/71/570245771.db2.gz IDOKPOLEUROBST-GOSISDBHSA-N 0 3 266.388 3.851 50 0 CHAAHN CC[C@H](COC)N[C@H](C)c1ccc(Br)s1 ZINC000070657886 570248970 /nfs/dbraw/zinc/24/89/70/570248970.db2.gz QRMYKNDQERPTPB-RKDXNWHRSA-N 0 3 292.242 3.586 50 0 CHAAHN CN(C)Cc1csc(CN2CC[C@H]2c2ccccc2)c1 ZINC000215829330 570304190 /nfs/dbraw/zinc/30/41/90/570304190.db2.gz WJAKBOWUTYVKIC-KRWDZBQOSA-N 0 3 286.444 3.757 50 0 CHAAHN CC(=O)Nc1ccc(CN[C@@H]2CCCc3ccccc32)cc1 ZINC000023989554 570311481 /nfs/dbraw/zinc/31/14/81/570311481.db2.gz PSUDWYTXGTXFKN-LJQANCHMSA-N 0 3 294.398 3.812 50 0 CHAAHN Cc1nc[nH]c1CN1CCC[C@@H](CCc2ccccc2)C1 ZINC000012445317 570319214 /nfs/dbraw/zinc/31/92/14/570319214.db2.gz DKMSTILZLFPFPQ-KRWDZBQOSA-N 0 3 283.419 3.563 50 0 CHAAHN COc1cc([C@@H](C)NCc2ccc3occc3c2)ccn1 ZINC000342287850 570354596 /nfs/dbraw/zinc/35/45/96/570354596.db2.gz USXTUEKWUBKXTQ-GFCCVEGCSA-N 0 3 282.343 3.687 50 0 CHAAHN CC(C)=CCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000075696348 570404963 /nfs/dbraw/zinc/40/49/63/570404963.db2.gz FCSQUIJRUOMZJM-CQSZACIVSA-N 0 3 270.376 3.973 50 0 CHAAHN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc(F)cc1 ZINC000245607440 1125584682 /nfs/dbraw/zinc/58/46/82/1125584682.db2.gz ISLLPFFAZGQQSP-RDTXWAMCSA-N 0 3 299.393 3.543 50 0 CHAAHN CC(C)[C@@H](NC[C@H]1CC=CCC1)c1nc(C2CC2)no1 ZINC000122949797 1120339746 /nfs/dbraw/zinc/33/97/46/1120339746.db2.gz JSERQIRYJMGKNG-GXTWGEPZSA-N 0 3 275.396 3.590 50 0 CHAAHN COC1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000053906814 1125434287 /nfs/dbraw/zinc/43/42/87/1125434287.db2.gz ZABSOCIKGRJOAQ-NSHDSACASA-N 0 3 253.773 3.512 50 0 CHAAHN Cc1n[nH]c(C)c1CN[C@H](CC(C)(C)C)c1cccnc1 ZINC000952976071 1132017909 /nfs/dbraw/zinc/01/79/09/1132017909.db2.gz DQKZDZSMXIRQIE-MRXNPFEDSA-N 0 3 286.423 3.689 50 0 CHAAHN Cc1nc[nH]c1CN(C)C[C@]1(c2ccccc2)CC1(C)C ZINC000952968055 1132018250 /nfs/dbraw/zinc/01/82/50/1132018250.db2.gz JHDGBRJTQHOVRN-SFHVURJKSA-N 0 3 283.419 3.518 50 0 CHAAHN CC(C)(C)[S@](=O)CCNCc1cc2ccccc2s1 ZINC000089694433 179847410 /nfs/dbraw/zinc/84/74/10/179847410.db2.gz CDANTVKBPHSEGB-IBGZPJMESA-N 0 3 295.473 3.538 50 0 CHAAHN CN(CCCOc1ccccc1F)Cc1ccccc1 ZINC000002823623 256857810 /nfs/dbraw/zinc/85/78/10/256857810.db2.gz LQJMUOZKVJSPNH-UHFFFAOYSA-N 0 3 273.351 3.727 50 0 CHAAHN c1ccc(COc2ccc(OCCN3CCCC3)cc2)cc1 ZINC000004845158 170029268 /nfs/dbraw/zinc/02/92/68/170029268.db2.gz BBUWRFSVSNGYDB-UHFFFAOYSA-N 0 3 297.398 3.740 50 0 CHAAHN Cc1ccc([C@@H]2CN(C)C[C@@H]2C(=O)c2ccc(F)cc2)cc1 ZINC000005617800 170120755 /nfs/dbraw/zinc/12/07/55/170120755.db2.gz BYKGNHGDMQKYEE-ROUUACIJSA-N 0 3 297.373 3.662 50 0 CHAAHN CC(C)c1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000006720018 170231939 /nfs/dbraw/zinc/23/19/39/170231939.db2.gz FETXKHAZVOGYIQ-UHFFFAOYSA-N 0 3 283.371 3.829 50 0 CHAAHN Clc1ccccc1-c1ccc(CNC[C@H]2CCCO2)o1 ZINC000006746086 170239036 /nfs/dbraw/zinc/23/90/36/170239036.db2.gz FCTMGISVRDPTGY-GFCCVEGCSA-N 0 3 291.778 3.869 50 0 CHAAHN CCCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007261715 170274088 /nfs/dbraw/zinc/27/40/88/170274088.db2.gz ZPHNQYIUKSAZLO-ZDUSSCGKSA-N 0 3 273.376 3.890 50 0 CHAAHN CC[C@H](C)N[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008344401 170332530 /nfs/dbraw/zinc/33/25/30/170332530.db2.gz MTUFDDWMNDOBEV-DTWKUNHWSA-N 0 3 289.206 3.709 50 0 CHAAHN C[C@@H](CN1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1F ZINC000008553294 170339869 /nfs/dbraw/zinc/33/98/69/170339869.db2.gz RVQIYLDWJBKUAL-MJBXVCDLSA-N 0 3 293.382 3.634 50 0 CHAAHN Cc1ccc2[nH]c(C)c(CN3CCCC[C@H]3C)c(=O)c2c1 ZINC000008700836 170346696 /nfs/dbraw/zinc/34/66/96/170346696.db2.gz FCERUZDINCMNOW-CYBMUJFWSA-N 0 3 284.403 3.932 50 0 CHAAHN Cc1cc(C)c2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1 ZINC000008713990 170348627 /nfs/dbraw/zinc/34/86/27/170348627.db2.gz VYQXTJSKIDSRNZ-UHFFFAOYSA-N 0 3 284.403 3.852 50 0 CHAAHN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCCCCCC2)c1 ZINC000014915727 170648593 /nfs/dbraw/zinc/64/85/93/170648593.db2.gz AVDFAGFWISEQEH-INIZCTEOSA-N 0 3 288.435 3.897 50 0 CHAAHN COc1ccc([C@@H]2NCCc3c4cc(C)ccc4[nH]c32)cc1 ZINC000019702291 170842309 /nfs/dbraw/zinc/84/23/09/170842309.db2.gz VFUYROFTDOIHPO-SFHVURJKSA-N 0 3 292.382 3.720 50 0 biogenic CHAAHN COc1ccccc1CCNCc1ccccc1Cl ZINC000019787279 170865761 /nfs/dbraw/zinc/86/57/61/170865761.db2.gz HCGQPPVETQLWBN-UHFFFAOYSA-N 0 3 275.779 3.681 50 0 CHAAHN Cc1ccc(CNC[C@H](c2ccco2)N2CCCC2)s1 ZINC000020123161 171004475 /nfs/dbraw/zinc/00/44/75/171004475.db2.gz CVRHOUDUEACLQT-OAHLLOKOSA-N 0 3 290.432 3.576 50 0 CHAAHN FC(F)(F)Oc1ccc([C@@H]2NCCc3sccc32)cc1 ZINC000020390592 171179458 /nfs/dbraw/zinc/17/94/58/171179458.db2.gz HTPMFEFHLOIZKI-ZDUSSCGKSA-N 0 3 299.317 3.882 50 0 CHAAHN Cc1noc(C)c1CN[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000035257775 172088779 /nfs/dbraw/zinc/08/87/79/172088779.db2.gz CLNWRRSKWPLHBE-WDEREUQCSA-N 0 3 276.302 3.502 50 0 CHAAHN CCN(CC)Cc1cncc(-c2cccc(OC)c2)c1 ZINC000037279011 173088408 /nfs/dbraw/zinc/08/84/08/173088408.db2.gz RHKBSOIJWFUSEW-UHFFFAOYSA-N 0 3 270.376 3.599 50 0 CHAAHN O=C(Nc1ccccc1CN1CCCC1)c1ccccc1F ZINC000040516507 174306871 /nfs/dbraw/zinc/30/68/71/174306871.db2.gz QUCZNVKPKOBSNT-UHFFFAOYSA-N 0 3 298.361 3.674 50 0 CHAAHN c1[nH]c(CC2CCCC2)nc1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000071756852 176260594 /nfs/dbraw/zinc/26/05/94/176260594.db2.gz BSZNJFMVLTUQCS-IYBDPMFKSA-N 0 3 285.435 3.540 50 0 CHAAHN Clc1cc(Br)ccc1CNCC1CC1 ZINC000037927798 329273170 /nfs/dbraw/zinc/27/31/70/329273170.db2.gz OWEKISQKIJOGAK-UHFFFAOYSA-N 0 3 274.589 3.602 50 0 CHAAHN Cc1cnc([C@@H](C)N[C@H](C)Cc2ccsc2)s1 ZINC000096479078 534622306 /nfs/dbraw/zinc/62/23/06/534622306.db2.gz GYLBFPCIJHFZGC-MWLCHTKSSA-N 0 3 266.435 3.795 50 0 CHAAHN C[C@@H](c1cccc(Cl)c1)N1CCN2CCCC[C@@H]2C1 ZINC000093952499 566883105 /nfs/dbraw/zinc/88/31/05/566883105.db2.gz OXRRHZUMZJTZFD-XJKSGUPXSA-N 0 3 278.827 3.571 50 0 CHAAHN FC(F)(F)CCN(Cc1cccnc1)C1CCCC1 ZINC000084425047 566883596 /nfs/dbraw/zinc/88/35/96/566883596.db2.gz JDXLDFDRZOOJNF-UHFFFAOYSA-N 0 3 272.314 3.779 50 0 CHAAHN CCO[C@@H]1C[C@@H](NCc2cccc(O)c2)C12CCCCC2 ZINC000075092252 566935115 /nfs/dbraw/zinc/93/51/15/566935115.db2.gz IIRGZAREOFZPFD-IAGOWNOFSA-N 0 3 289.419 3.610 50 0 CHAAHN Cc1ccc2oc(N3CCN(C)CC34CCCCC4)nc2c1 ZINC000075103610 566935132 /nfs/dbraw/zinc/93/51/32/566935132.db2.gz RELJZPDDLAQLBV-UHFFFAOYSA-N 0 3 299.418 3.591 50 0 CHAAHN Cc1ccccc1[C@@H]1[C@@H](C)CCC[C@@H]1OCCN(C)C ZINC000075273153 566940012 /nfs/dbraw/zinc/94/00/12/566940012.db2.gz MBPBUYNCPNBLHG-SZMVWBNQSA-N 0 3 275.436 3.845 50 0 CHAAHN CCc1ccc(OCCCCNCc2ccco2)cc1 ZINC000075284368 566940988 /nfs/dbraw/zinc/94/09/88/566940988.db2.gz QNQAHGQOMTXTHL-UHFFFAOYSA-N 0 3 273.376 3.791 50 0 CHAAHN C[C@H]1[C@H](O)[C@@H](C)[C@@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000239305971 566965895 /nfs/dbraw/zinc/96/58/95/566965895.db2.gz GGCLDJYYOISOSI-BUSDAAPNSA-N 0 3 281.399 3.705 50 0 CHAAHN CO[C@@H](C)[C@H](C)NCc1ccc(SC(F)(F)F)cc1 ZINC000170087971 567005325 /nfs/dbraw/zinc/00/53/25/567005325.db2.gz KNGOHSBEJFSJGH-UWVGGRQHSA-N 0 3 293.354 3.812 50 0 CHAAHN Cc1n[nH]cc1CN[C@@H](CC(C)C)c1cccs1 ZINC000065464965 567007959 /nfs/dbraw/zinc/00/79/59/567007959.db2.gz OKBGTLFXEGZDDT-ZDUSSCGKSA-N 0 3 263.410 3.657 50 0 CHAAHN CC[C@@H](NCc1cccnc1)c1ccc(OC(F)F)cc1 ZINC000089947821 567029627 /nfs/dbraw/zinc/02/96/27/567029627.db2.gz LEKLIHAZYSBIDE-OAHLLOKOSA-N 0 3 292.329 3.924 50 0 CHAAHN CN(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2F)C1 ZINC000076093252 567029892 /nfs/dbraw/zinc/02/98/92/567029892.db2.gz DVFKFQVQRKBJBX-SFHVURJKSA-N 0 3 298.405 3.532 50 0 CHAAHN C[C@H](NCC1=CCCOC1)c1ccc2ccccc2c1 ZINC000089905138 567030559 /nfs/dbraw/zinc/03/05/59/567030559.db2.gz IJJCDVHNYZAXLG-AWEZNQCLSA-N 0 3 267.372 3.837 50 0 CHAAHN C[C@@H](NCCc1nc(-c2ccccn2)cs1)c1ccco1 ZINC000090044588 567033695 /nfs/dbraw/zinc/03/36/95/567033695.db2.gz GIAKNMDXUVVXDW-GFCCVEGCSA-N 0 3 299.399 3.691 50 0 CHAAHN CCc1ccc2oc(=O)cc(CN3CCCC[C@H]3C)c2c1 ZINC000002352811 567103214 /nfs/dbraw/zinc/10/32/14/567103214.db2.gz CJDJHMYQTVCDAS-CYBMUJFWSA-N 0 3 285.387 3.730 50 0 biogenic CHAAHN CCCCc1ccc(NC(=O)[C@H](CC)NC(C)C)cc1 ZINC000328592590 567119417 /nfs/dbraw/zinc/11/94/17/567119417.db2.gz LJOYBNBZDJIGPL-INIZCTEOSA-N 0 3 276.424 3.744 50 0 CHAAHN C[C@H]1CC2=C(C[C@@H]1CN1CCN(C)CC1)C(C)(C)CCC2 ZINC000019703374 567123195 /nfs/dbraw/zinc/12/31/95/567123195.db2.gz DNZOJJXQVWDKTC-DOTOQJQBSA-N 0 3 290.495 3.787 50 0 biogenic CHAAHN Cc1cccc(CN2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000019832133 567123524 /nfs/dbraw/zinc/12/35/24/567123524.db2.gz ANALMXREFYDTJG-UHFFFAOYSA-N 0 3 294.442 3.621 50 0 CHAAHN C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccccc1Cl ZINC000095389743 567128132 /nfs/dbraw/zinc/12/81/32/567128132.db2.gz PVWOAYIOLDHXGL-QWHCGFSZSA-N 0 3 295.810 3.676 50 0 CHAAHN C[C@H](NCc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000095419221 567131784 /nfs/dbraw/zinc/13/17/84/567131784.db2.gz NHHYBIQVKLMCNC-ZDUSSCGKSA-N 0 3 294.398 3.767 50 0 CHAAHN C[C@H](NCc1ccnc(OCC2CC2)c1)c1cccs1 ZINC000095422228 567132078 /nfs/dbraw/zinc/13/20/78/567132078.db2.gz VIWFZMRNWQGUKM-LBPRGKRZSA-N 0 3 288.416 3.783 50 0 CHAAHN C[C@@H]1CCCN(Cc2cc(N3CCC[C@H](C)C3)ccn2)C1 ZINC000095446879 567134601 /nfs/dbraw/zinc/13/46/01/567134601.db2.gz ZTKMJXOZSKARBH-CVEARBPZSA-N 0 3 287.451 3.550 50 0 CHAAHN OC1CCN(C2(c3cccc(Cl)c3)CCCCC2)CC1 ZINC000096027268 567138559 /nfs/dbraw/zinc/13/85/59/567138559.db2.gz UXGUXJRVNBNQHZ-UHFFFAOYSA-N 0 3 293.838 3.956 50 0 CHAAHN C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)N1CCCCC1 ZINC000027988375 567146309 /nfs/dbraw/zinc/14/63/09/567146309.db2.gz AKQVDWQQRKYCOZ-IILDEKEXSA-N 0 3 275.436 3.646 50 0 CHAAHN COc1ccc(OCCCN2CCc3ccccc3C2)cc1 ZINC000002839688 567153563 /nfs/dbraw/zinc/15/35/63/567153563.db2.gz YZRYIQCLUIGODX-UHFFFAOYSA-N 0 3 297.398 3.522 50 0 CHAAHN COc1ccccc1Sc1ccccc1CN(C)C ZINC000000347786 567826375 /nfs/dbraw/zinc/82/63/75/567826375.db2.gz QIVHSFHRURYWPB-UHFFFAOYSA-N 0 3 273.401 3.908 50 0 CHAAHN Cc1cccc(Cl)c1NC(=O)CN(C)C1CCCCC1 ZINC000000394462 567828681 /nfs/dbraw/zinc/82/86/81/567828681.db2.gz VDJCVUDSODBHLN-UHFFFAOYSA-N 0 3 294.826 3.851 50 0 CHAAHN CN1CCc2c3ccccc3[nH]c2Cc2ccccc2CC1 ZINC000001486281 567837697 /nfs/dbraw/zinc/83/76/97/567837697.db2.gz YEWGIGCYIAMFMA-UHFFFAOYSA-N 0 3 290.410 3.789 50 0 in-vivo CHAAHN Cc1ccc([C@@H](OCCN(C)C)c2ccccc2)cc1 ZINC000002020960 567844150 /nfs/dbraw/zinc/84/41/50/567844150.db2.gz PJUYQWIDNIAHIZ-SFHVURJKSA-N 0 3 269.388 3.663 50 0 in-vitro CHAAHN C[C@@H]1CN(C2CCC(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000003683636 567853769 /nfs/dbraw/zinc/85/37/69/567853769.db2.gz OWBYPXYTTWMOTK-DGKWVBSXSA-N 0 3 253.430 3.701 50 0 CHAAHN CC[C@@H](C)CN1Cc2cc(OC)ccc2O[C@@H](CC)C1 ZINC000216082541 567860982 /nfs/dbraw/zinc/86/09/82/567860982.db2.gz JHLFCHDHYLMVMS-HIFRSBDPSA-N 0 3 277.408 3.714 50 0 CHAAHN COc1ccc([C@@H](N)c2ccc(Br)cc2)cc1 ZINC000012650683 567863878 /nfs/dbraw/zinc/86/38/78/567863878.db2.gz GSXAISCLDOQZOQ-AWEZNQCLSA-N 0 3 292.176 3.506 50 0 CHAAHN Cc1cccc(OCCN2CCC[C@H]2c2ccccn2)c1 ZINC000019220085 567877540 /nfs/dbraw/zinc/87/75/40/567877540.db2.gz GGHNDQZFMWYFHL-SFHVURJKSA-N 0 3 282.387 3.606 50 0 CHAAHN N[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000019425977 567877907 /nfs/dbraw/zinc/87/79/07/567877907.db2.gz YYVCIDGLFCZXAV-ZDUSSCGKSA-N 0 3 280.140 3.636 50 0 CHAAHN CC1CCC(N2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000019842502 567879049 /nfs/dbraw/zinc/87/90/49/567879049.db2.gz LRTGIPILKOYLJW-UHFFFAOYSA-N 0 3 290.426 3.522 50 0 CHAAHN Cc1ccc(OCCCCN2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000020118706 567880883 /nfs/dbraw/zinc/88/08/83/567880883.db2.gz BSCUWRHXLUUACY-IAGOWNOFSA-N 0 3 291.435 3.572 50 0 CHAAHN Cc1[nH]c2ccc(C)cc2c1CCNCc1ccco1 ZINC000023650144 567882095 /nfs/dbraw/zinc/88/20/95/567882095.db2.gz OGNHJUWOXLUGNP-UHFFFAOYSA-N 0 3 268.360 3.710 50 0 CHAAHN COc1cc2c(cc1OC)CN(CC1CCCCC1)CC2 ZINC000023281953 567882130 /nfs/dbraw/zinc/88/21/30/567882130.db2.gz UHHFHXOKBCCZJZ-UHFFFAOYSA-N 0 3 289.419 3.642 50 0 CHAAHN C[C@H]1CC[C@H](N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000000214854 567887481 /nfs/dbraw/zinc/88/74/81/567887481.db2.gz ZRLLHUDFZDCCPR-BBRMVZONSA-N 0 3 278.827 3.651 50 0 CHAAHN O[C@]12CCCC[C@H]1[C@@H](c1ccccc1C(F)(F)F)NCC2 ZINC000022018137 567887948 /nfs/dbraw/zinc/88/79/48/567887948.db2.gz BPSBHMXEIGURBC-ZNMIVQPWSA-N 0 3 299.336 3.661 50 0 CHAAHN Fc1cccc(CNCc2ccc(Br)cc2)c1 ZINC000034938906 567889073 /nfs/dbraw/zinc/88/90/73/567889073.db2.gz FTCFYCSGHIGDAX-UHFFFAOYSA-N 0 3 294.167 3.878 50 0 CHAAHN C/C(=C\c1ccco1)CN(C)[C@@H](C)c1cccnc1 ZINC000065428281 567899347 /nfs/dbraw/zinc/89/93/47/567899347.db2.gz RSGQWUAJUMKKQW-UELRPHRMSA-N 0 3 256.349 3.771 50 0 CHAAHN Cc1cccnc1C[C@@H](C)N(C)Cc1cccs1 ZINC000065489695 567899580 /nfs/dbraw/zinc/89/95/80/567899580.db2.gz IAZABEFLNPNGRN-CYBMUJFWSA-N 0 3 260.406 3.515 50 0 CHAAHN Oc1cc(-c2csc3ccccc23)cc2c1OCCNC2 ZINC000067589080 567900027 /nfs/dbraw/zinc/90/00/27/567900027.db2.gz GIKOLCXSCRAGJC-UHFFFAOYSA-N 0 3 297.379 3.756 50 0 CHAAHN CC[C@H]1CN(c2cc(C)nc3ccccc32)CC[C@@]1(C)O ZINC000067841286 567900719 /nfs/dbraw/zinc/90/07/19/567900719.db2.gz PTFNHGPEVSUAMV-KBXCAEBGSA-N 0 3 284.403 3.531 50 0 CHAAHN Fc1cccc(OC[C@@H]2CCCN(c3ccncc3)C2)c1 ZINC000077425635 567905248 /nfs/dbraw/zinc/90/52/48/567905248.db2.gz UWSPXUDICJSICI-CQSZACIVSA-N 0 3 286.350 3.516 50 0 CHAAHN Cc1cc(CNC[C@@H](C)c2cccc(Cl)c2)on1 ZINC000188263451 567931487 /nfs/dbraw/zinc/93/14/87/567931487.db2.gz YKLVKIQTJVQJGZ-SNVBAGLBSA-N 0 3 264.756 3.530 50 0 CHAAHN Cc1ccc(O)c(CN[C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000103341100 567942840 /nfs/dbraw/zinc/94/28/40/567942840.db2.gz GPMFGOGUAMIBKO-AWEZNQCLSA-N 0 3 296.414 3.825 50 0 CHAAHN Cc1ccc([O-])c(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000103341100 567942841 /nfs/dbraw/zinc/94/28/41/567942841.db2.gz GPMFGOGUAMIBKO-AWEZNQCLSA-N 0 3 296.414 3.825 50 0 CHAAHN CCN(CC)Cc1ccc(C(=O)OC2(C3CC3)CC2)cc1 ZINC000225389088 567953179 /nfs/dbraw/zinc/95/31/79/567953179.db2.gz SNAGSSYTAJZGCM-UHFFFAOYSA-N 0 3 287.403 3.628 50 0 CHAAHN c1ccc([C@@H](Cc2ccccn2)NC[C@@H]2CCC=CO2)cc1 ZINC000225585819 567954125 /nfs/dbraw/zinc/95/41/25/567954125.db2.gz HCSYVPMFZHCBQS-RBUKOAKNSA-N 0 3 294.398 3.648 50 0 CHAAHN N[C@@H](c1ccncc1)c1ccc(OCc2ccccc2)cc1 ZINC000011832621 570220813 /nfs/dbraw/zinc/22/08/13/570220813.db2.gz KQHSVUCAUIYKQD-LJQANCHMSA-N 0 3 290.366 3.709 50 0 CHAAHN CC(C)c1ccc(CN(C)C[C@@H](O)c2ccccc2)cc1 ZINC000025718883 570230844 /nfs/dbraw/zinc/23/08/44/570230844.db2.gz YHUMFBGWMJDPOI-LJQANCHMSA-N 0 3 283.415 3.975 50 0 CHAAHN COc1ccc(CNC2(c3ccccc3)CCC2)cc1O ZINC000051188665 570286279 /nfs/dbraw/zinc/28/62/79/570286279.db2.gz DXKKATLOFJHMCR-UHFFFAOYSA-N 0 3 283.371 3.570 50 0 CHAAHN CCC(CC)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000019789049 570291789 /nfs/dbraw/zinc/29/17/89/570291789.db2.gz CHQPQCTWPUOFNP-UHFFFAOYSA-N 0 3 280.843 3.646 50 0 CHAAHN CCc1ncc(CN2CCC[C@@H](c3cccc(C)c3)C2)cn1 ZINC000215177006 570302239 /nfs/dbraw/zinc/30/22/39/570302239.db2.gz XYDPYKPOWZPBCD-GOSISDBHSA-N 0 3 295.430 3.727 50 0 CHAAHN CN(CCC1(O)CCCC1)Cc1cc2ccccc2o1 ZINC000215453651 570303030 /nfs/dbraw/zinc/30/30/30/570303030.db2.gz VNDZFUKNYGCKRC-UHFFFAOYSA-N 0 3 273.376 3.560 50 0 CHAAHN Cc1cccc([C@@H](OCCN(C)C)c2ccccc2)c1 ZINC000000377874 570314025 /nfs/dbraw/zinc/31/40/25/570314025.db2.gz VSIVTUKDXUYWPL-SFHVURJKSA-N 0 3 269.388 3.663 50 0 CHAAHN O=C(CCN1CCCC1)c1ccc2ccccc2c1 ZINC000000145614 570357249 /nfs/dbraw/zinc/35/72/49/570357249.db2.gz NVOKBQBPIVIAGG-UHFFFAOYSA-N 0 3 253.345 3.508 50 0 CHAAHN COc1cccc(-c2oncc2CN2CCC[C@@H](C)C2)c1 ZINC000065288911 570361868 /nfs/dbraw/zinc/36/18/68/570361868.db2.gz PAOVLOBRBATQGV-CYBMUJFWSA-N 0 3 286.375 3.582 50 0 CHAAHN Cc1cc(C)c(OCCNCc2ccccc2)c(C)c1 ZINC000002822048 570371477 /nfs/dbraw/zinc/37/14/77/570371477.db2.gz PLNWQIRHGIFOMO-UHFFFAOYSA-N 0 3 269.388 3.780 50 0 CHAAHN Cc1ccc(C(c2ccc(C)cc2)N2CCC[C@@H]2O)cc1 ZINC000142493031 1122441433 /nfs/dbraw/zinc/44/14/33/1122441433.db2.gz OJVQTPHTCZUEFO-SFHVURJKSA-N 0 3 281.399 3.807 50 0 CHAAHN CC(C)NCc1ccc(Cl)cc1Br ZINC000096033297 185067923 /nfs/dbraw/zinc/06/79/23/185067923.db2.gz XDAQUXTWTJEXIT-UHFFFAOYSA-N 0 3 262.578 3.601 50 0 CHAAHN Cc1ccc([C@H](C)N[C@H](C)C[C@H](O)c2cccs2)o1 ZINC000097022805 185153816 /nfs/dbraw/zinc/15/38/16/185153816.db2.gz JHFUIFVJLHGYIY-WXHSDQCUSA-N 0 3 279.405 3.812 50 0 CHAAHN CN(CC[C@@H]1CCCCO1)Cc1ccc(OC(F)F)cc1 ZINC000347396130 529930735 /nfs/dbraw/zinc/93/07/35/529930735.db2.gz TWPAPTYCOJLKPD-AWEZNQCLSA-N 0 3 299.361 3.679 50 0 CHAAHN CN(CC[C@H]1CCCCO1)Cc1ccc(OC(F)F)cc1 ZINC000347396131 529931894 /nfs/dbraw/zinc/93/18/94/529931894.db2.gz TWPAPTYCOJLKPD-CQSZACIVSA-N 0 3 299.361 3.679 50 0 CHAAHN CCCNCc1cc(OCC)c(OCC)cc1Cl ZINC000002884243 169841056 /nfs/dbraw/zinc/84/10/56/169841056.db2.gz JSJVWJVYGRVNCD-UHFFFAOYSA-N 0 3 271.788 3.637 50 0 CHAAHN CCn1c2ccccc2c2cc(CNCCOC)ccc21 ZINC000004942803 170043288 /nfs/dbraw/zinc/04/32/88/170043288.db2.gz XBZAJIXWRSAHFP-UHFFFAOYSA-N 0 3 282.387 3.550 50 0 CHAAHN CCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000004942901 170043459 /nfs/dbraw/zinc/04/34/59/170043459.db2.gz ZYLINLROTHVONI-UHFFFAOYSA-N 0 3 280.165 3.819 50 0 CHAAHN CCOc1ccc(Br)cc1CN(CC)CC ZINC000004981528 170048554 /nfs/dbraw/zinc/04/85/54/170048554.db2.gz DOMRRMQOEDFLKU-UHFFFAOYSA-N 0 3 286.213 3.690 50 0 CHAAHN CCN(Cc1ccccc1)Cc1cc(OC)cc(OC)c1 ZINC000004989069 170049917 /nfs/dbraw/zinc/04/99/17/170049917.db2.gz BSQNOQLVXXULDR-UHFFFAOYSA-N 0 3 285.387 3.726 50 0 CHAAHN CCN(CC)CCSc1ccc(-c2ccccc2)nn1 ZINC000005410516 170095200 /nfs/dbraw/zinc/09/52/00/170095200.db2.gz KQMANHLTJYUAAK-UHFFFAOYSA-N 0 3 287.432 3.578 50 0 CHAAHN CCOc1ccc(CN[C@@H](C)c2ccccc2)cc1OC ZINC000008324719 170331288 /nfs/dbraw/zinc/33/12/88/170331288.db2.gz SIHDTZGLXNRBNZ-AWEZNQCLSA-N 0 3 285.387 3.945 50 0 CHAAHN CCCCN(C)Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008579176 170341970 /nfs/dbraw/zinc/34/19/70/170341970.db2.gz UKCSBMUWCSUAGT-UHFFFAOYSA-N 0 3 272.392 3.789 50 0 CHAAHN Cc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1 ZINC000008700834 170346904 /nfs/dbraw/zinc/34/69/04/170346904.db2.gz FUFZRSBQYMMXIF-UHFFFAOYSA-N 0 3 270.376 3.543 50 0 biogenic CHAAHN Cc1ccc2c(=O)c(CN3CCCCC3)c(C)[nH]c2c1C ZINC000008714065 170348469 /nfs/dbraw/zinc/34/84/69/170348469.db2.gz LYNPSTTZIHJMMN-UHFFFAOYSA-N 0 3 284.403 3.852 50 0 CHAAHN CN(C)Cc1ccccc1NC(=O)c1ccc(Cl)s1 ZINC000031232841 171633738 /nfs/dbraw/zinc/63/37/38/171633738.db2.gz JILISHGEDCWKCV-UHFFFAOYSA-N 0 3 294.807 3.715 50 0 CHAAHN Cc1ccc([C@H](NCc2ccccn2)C2CC2)cc1 ZINC000035257380 172087875 /nfs/dbraw/zinc/08/78/75/172087875.db2.gz YNCHBOPMVWIFHC-KRWDZBQOSA-N 0 3 252.361 3.631 50 0 CHAAHN CCN[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000035539013 172245211 /nfs/dbraw/zinc/24/52/11/172245211.db2.gz UIADRZHSZNPTFA-AWEZNQCLSA-N 0 3 291.192 3.543 50 0 CHAAHN CC[C@H]1CN(Cc2ccc(Cl)cc2F)CCN1C(C)C ZINC000072130668 176321097 /nfs/dbraw/zinc/32/10/97/176321097.db2.gz ZOEKNZBEPVHGCM-HNNXBMFYSA-N 0 3 298.833 3.784 50 0 CHAAHN c1nc2ccccn2c1CN[C@@H]1CCCc2ccccc21 ZINC000072272612 176354845 /nfs/dbraw/zinc/35/48/45/176354845.db2.gz GAVGKCINDIYQCO-QGZVFWFLSA-N 0 3 277.371 3.502 50 0 CHAAHN C[C@H](NCc1ccccc1Cl)[C@@H](O)c1ccccc1 ZINC000019871867 326857500 /nfs/dbraw/zinc/85/75/00/326857500.db2.gz KCYXVAXVDNWVJI-BLLLJJGKSA-N 0 3 275.779 3.552 50 0 CHAAHN Cc1ccc(C)n1CCCNCc1ccccc1Cl ZINC000032919503 326898493 /nfs/dbraw/zinc/89/84/93/326898493.db2.gz PXKHNUFBXHBLGR-UHFFFAOYSA-N 0 3 276.811 3.938 50 0 CHAAHN CCN(Cc1ccc(F)cc1F)[C@H]1CCOC(C)(C)C1 ZINC000289664242 521315410 /nfs/dbraw/zinc/31/54/10/521315410.db2.gz FNNHZMISCWBGTD-AWEZNQCLSA-N 0 3 283.362 3.744 50 0 CHAAHN COc1ccccc1C[C@@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000096479088 534104403 /nfs/dbraw/zinc/10/44/03/534104403.db2.gz GCKOMLZPWFBVLY-YPMHNXCESA-N 0 3 290.432 3.742 50 0 CHAAHN Cc1cnc([C@@H](C)N[C@@H](C)Cc2ccsc2)s1 ZINC000096479074 534621522 /nfs/dbraw/zinc/62/15/22/534621522.db2.gz GYLBFPCIJHFZGC-GXSJLCMTSA-N 0 3 266.435 3.795 50 0 CHAAHN CO[C@H](C)[C@H](C)NCc1ccc(SC(F)(F)F)cc1 ZINC000170087969 567005410 /nfs/dbraw/zinc/00/54/10/567005410.db2.gz KNGOHSBEJFSJGH-VHSXEESVSA-N 0 3 293.354 3.812 50 0 CHAAHN Cc1cccc(C)c1[C@H](OCCN(C)C)c1ccccc1 ZINC000044559814 566917011 /nfs/dbraw/zinc/91/70/11/566917011.db2.gz MDOKGWJPAAPILV-LJQANCHMSA-N 0 3 283.415 3.971 50 0 CHAAHN c1ccc(CN2CCC[C@@H](Oc3ccccc3)C2)cc1 ZINC000064034273 566952552 /nfs/dbraw/zinc/95/25/52/566952552.db2.gz NKJBWZQGCAPMGQ-GOSISDBHSA-N 0 3 267.372 3.730 50 0 CHAAHN COc1cccc(OC)c1-c1ccc2nccc(N)c2c1 ZINC000426739684 566990073 /nfs/dbraw/zinc/99/00/73/566990073.db2.gz HILBWFLFXNVBBM-UHFFFAOYSA-N 0 3 280.327 3.501 50 0 CHAAHN Cc1nc2ccccc2n1CCN1CCC[C@@H]1c1ccc[nH]1 ZINC000170592511 567012771 /nfs/dbraw/zinc/01/27/71/567012771.db2.gz IZIBNMDOTVZFQT-QGZVFWFLSA-N 0 3 294.402 3.510 50 0 CHAAHN c1cn(C2CCN(Cc3cc4ccccc4s3)CC2)cn1 ZINC000092648483 567036560 /nfs/dbraw/zinc/03/65/60/567036560.db2.gz IMOWDZWPIBSSGC-UHFFFAOYSA-N 0 3 297.427 3.935 50 0 CHAAHN CC[C@@H](N[C@@H](C)c1ccc(C)s1)c1cnn(C)c1 ZINC000195540557 567070089 /nfs/dbraw/zinc/07/00/89/567070089.db2.gz BUAUKORTRXMEAI-WCQYABFASA-N 0 3 263.410 3.592 50 0 CHAAHN Cc1cc([C@@H](C)NCC[S@@](=O)C(C)(C)C)c(C)s1 ZINC000095422600 567132225 /nfs/dbraw/zinc/13/22/25/567132225.db2.gz KPJPXWRRBNRULJ-ZMZPIMSZSA-N 0 3 287.494 3.563 50 0 CHAAHN Cc1cc(NC[C@H]2CCO[C@H](C)C2)c2ccccc2n1 ZINC000095458013 567134843 /nfs/dbraw/zinc/13/48/43/567134843.db2.gz ZFRBPGDWGDAJRV-KGLIPLIRSA-N 0 3 270.376 3.770 50 0 CHAAHN Cc1ccc(C)c([C@H](OCCN(C)C)c2ccccc2)c1 ZINC000096026353 567136389 /nfs/dbraw/zinc/13/63/89/567136389.db2.gz VITQRFZZRZNCGK-LJQANCHMSA-N 0 3 283.415 3.971 50 0 CHAAHN Cc1n[nH]c(C)c1CNCc1cc2cc(F)ccc2s1 ZINC000097160084 567144316 /nfs/dbraw/zinc/14/43/16/567144316.db2.gz IGMOKKQYUZMLCK-UHFFFAOYSA-N 0 3 289.379 3.670 50 0 CHAAHN C[C@@H](NC(C)(C)C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000027988411 567145069 /nfs/dbraw/zinc/14/50/69/567145069.db2.gz MIAWBOWAAZHWMV-SFCYXTAJSA-N 0 3 263.425 3.549 50 0 CHAAHN Fc1ccc(-c2n[nH]cc2CNCc2cccc(F)c2)cc1 ZINC000042201742 567204182 /nfs/dbraw/zinc/20/41/82/567204182.db2.gz CKNVCTHYYYRDSW-UHFFFAOYSA-N 0 3 299.324 3.645 50 0 CHAAHN COc1ccc(CN[C@H]2CCCc3ccccc32)cc1 ZINC000000263177 567823272 /nfs/dbraw/zinc/82/32/72/567823272.db2.gz RQZSKQXLWGINHV-SFHVURJKSA-N 0 3 267.372 3.862 50 0 CHAAHN N[C@@H](c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000000335638 567825566 /nfs/dbraw/zinc/82/55/66/567825566.db2.gz AKMMVPFDNDRZLO-ZDUSSCGKSA-N 0 3 251.251 3.754 50 0 CHAAHN N[C@H](c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000000335640 567825623 /nfs/dbraw/zinc/82/56/23/567825623.db2.gz AKMMVPFDNDRZLO-CYBMUJFWSA-N 0 3 251.251 3.754 50 0 CHAAHN CN(C)Cc1ccccc1Sc1ccc(O)cc1 ZINC000000347788 567826275 /nfs/dbraw/zinc/82/62/75/567826275.db2.gz BJOPZPFZQQKACQ-UHFFFAOYSA-N 0 3 259.374 3.605 50 0 CHAAHN CCC[C@]1(c2cccc(OC(C)C)c2)CCN(C)C1 ZINC000096027466 567836976 /nfs/dbraw/zinc/83/69/76/567836976.db2.gz SASPIDXJSZVDCG-KRWDZBQOSA-N 0 3 261.409 3.847 50 0 CHAAHN O=C(c1ccc(F)cc1)c1ccc(CN2CCCC2)cc1 ZINC000002514564 567846369 /nfs/dbraw/zinc/84/63/69/567846369.db2.gz XTWABMVCOMCJPO-UHFFFAOYSA-N 0 3 283.346 3.653 50 0 CHAAHN C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1ccccc1F ZINC000003904961 567854327 /nfs/dbraw/zinc/85/43/27/567854327.db2.gz RVQIYLDWJBKUAL-MGPQQGTHSA-N 0 3 293.382 3.634 50 0 CHAAHN Cc1cccc(CN2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000004980980 567859179 /nfs/dbraw/zinc/85/91/79/567859179.db2.gz RHLSDHLQMWAOGZ-UHFFFAOYSA-N 0 3 294.442 3.934 50 0 CHAAHN C[C@@H](CCc1ccccc1)NCc1cnc(Cl)s1 ZINC000005720679 567859737 /nfs/dbraw/zinc/85/97/37/567859737.db2.gz OIWOVKUIMUZSTC-NSHDSACASA-N 0 3 280.824 3.907 50 0 CHAAHN CCc1nc2c(c(C)c(C)n2Cc2ccncc2)c(N)c1C ZINC000012324873 567862647 /nfs/dbraw/zinc/86/26/47/567862647.db2.gz DBRJPJLMYKPRPG-UHFFFAOYSA-N 0 3 294.402 3.549 50 0 CHAAHN Cc1ccc(CN2CCC[C@@H]2c2c(C)noc2C)s1 ZINC000015866867 567871385 /nfs/dbraw/zinc/87/13/85/567871385.db2.gz BQAFZAVXOPXJOE-CQSZACIVSA-N 0 3 276.405 3.998 50 0 CHAAHN COc1ccc2c(c1)[C@H](c1cccc(Cl)c1)NCC2 ZINC000019625838 567877889 /nfs/dbraw/zinc/87/78/89/567877889.db2.gz VTAIVNGVFBIKHG-INIZCTEOSA-N 0 3 273.763 3.584 50 0 CHAAHN CCC(CC)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019788351 567879037 /nfs/dbraw/zinc/87/90/37/567879037.db2.gz NTLHSYMIFIKLEK-UHFFFAOYSA-N 0 3 280.843 3.646 50 0 CHAAHN COc1ccccc1[C@@H](C)NCc1sccc1C ZINC000020096644 567880918 /nfs/dbraw/zinc/88/09/18/567880918.db2.gz MMERQMLMIXAIQY-GFCCVEGCSA-N 0 3 261.390 3.916 50 0 CHAAHN CCC(=O)Nc1ccc([C@H](C)NCc2ccsc2)cc1 ZINC000030641038 567884859 /nfs/dbraw/zinc/88/48/59/567884859.db2.gz WZIGLMVFPDPIPH-LBPRGKRZSA-N 0 3 288.416 3.947 50 0 CHAAHN C[C@@H](Cc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000000182670 567887469 /nfs/dbraw/zinc/88/74/69/567887469.db2.gz UCHLBQBKXVDILA-INIZCTEOSA-N 0 3 298.405 3.579 50 0 CHAAHN CCN[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000036819984 567889840 /nfs/dbraw/zinc/88/98/40/567889840.db2.gz XCLOFVSSVHNWOB-QGZVFWFLSA-N 0 3 254.377 3.904 50 0 CHAAHN NCc1ccc(Br)cc1Oc1ccccc1 ZINC000036985466 567890004 /nfs/dbraw/zinc/89/00/04/567890004.db2.gz BRHBNMZJULCWFA-UHFFFAOYSA-N 0 3 278.149 3.700 50 0 CHAAHN Cc1cc(C)c(CN(C)[C@H](C)c2ccco2)c(C)c1CO ZINC000055227288 567894208 /nfs/dbraw/zinc/89/42/08/567894208.db2.gz FVWJLBHNHTURRQ-OAHLLOKOSA-N 0 3 287.403 3.890 50 0 CHAAHN Brc1cccc(CNCc2cccs2)c1 ZINC000057274470 567895032 /nfs/dbraw/zinc/89/50/32/567895032.db2.gz WBNMDPFFOKNCFH-UHFFFAOYSA-N 0 3 282.206 3.800 50 0 CHAAHN C[C@H](C1CC1)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000058368366 567895854 /nfs/dbraw/zinc/89/58/54/567895854.db2.gz AKYPDZSMRHUDOV-CYBMUJFWSA-N 0 3 282.387 3.509 50 0 CHAAHN C/C(=C\c1ccccc1)CN1CC(N2CCCC[C@H]2C)C1 ZINC000065385202 567898670 /nfs/dbraw/zinc/89/86/70/567898670.db2.gz OMPZPSCQSYZBIV-NWNNTGRJSA-N 0 3 284.447 3.649 50 0 CHAAHN Fc1ccc([C@@H]2CCCN2CCc2ccccn2)cc1 ZINC000066350264 567899801 /nfs/dbraw/zinc/89/98/01/567899801.db2.gz IOXDJUKJQOKXLB-KRWDZBQOSA-N 0 3 270.351 3.600 50 0 CHAAHN Fc1ccc([C@H]2CCCN2CCc2ccccn2)cc1 ZINC000066350263 567899879 /nfs/dbraw/zinc/89/98/79/567899879.db2.gz IOXDJUKJQOKXLB-QGZVFWFLSA-N 0 3 270.351 3.600 50 0 CHAAHN C[C@@H](c1ccncc1)N(C)Cc1cccc2[nH]ccc21 ZINC000097113705 567904718 /nfs/dbraw/zinc/90/47/18/567904718.db2.gz IXWXYVOCHVMNBE-ZDUSSCGKSA-N 0 3 265.360 3.756 50 0 CHAAHN Cc1cccc2[nH]c([C@H]3CCCN(c4ccncc4)C3)nc21 ZINC000077471556 567905329 /nfs/dbraw/zinc/90/53/29/567905329.db2.gz JLUHSTOHZCRICI-AWEZNQCLSA-N 0 3 292.386 3.650 50 0 CHAAHN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1Cc1ccccc1 ZINC000096318758 567910215 /nfs/dbraw/zinc/91/02/15/567910215.db2.gz DVFVULWSBWKNRS-QZTJIDSGSA-N 0 3 294.442 3.781 50 0 CHAAHN Cc1ccc(CN2CCC(c3ccnc(C)n3)CC2)s1 ZINC000097295305 567910543 /nfs/dbraw/zinc/91/05/43/567910543.db2.gz UHTZAQCBBXICLO-UHFFFAOYSA-N 0 3 287.432 3.535 50 0 CHAAHN Cc1cc([C@@H]2CCCCN2CCc2ccccc2)no1 ZINC000097307471 567910561 /nfs/dbraw/zinc/91/05/61/567910561.db2.gz ZKPOGZUCUBAJBR-KRWDZBQOSA-N 0 3 270.376 3.753 50 0 CHAAHN Cc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000000238167 567941925 /nfs/dbraw/zinc/94/19/25/567941925.db2.gz LDTXHSXRDQSUGN-UHFFFAOYSA-N 0 3 298.405 3.765 50 0 CHAAHN CO[C@@H]1CCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000214995439 567947094 /nfs/dbraw/zinc/94/70/94/567947094.db2.gz MQWKRASGGZCVSL-CQSZACIVSA-N 0 3 273.401 3.636 50 0 CHAAHN Cc1ccc(-c2n[nH]cc2CNCc2ccccc2)cc1C ZINC000000819506 567948440 /nfs/dbraw/zinc/94/84/40/567948440.db2.gz STCAESDRZUMVEB-UHFFFAOYSA-N 0 3 291.398 3.983 50 0 CHAAHN c1ccc([C@H](Cc2ccccn2)NC[C@@H]2CCC=CO2)cc1 ZINC000225585877 567954110 /nfs/dbraw/zinc/95/41/10/567954110.db2.gz HCSYVPMFZHCBQS-OALUTQOASA-N 0 3 294.398 3.648 50 0 CHAAHN CC1=C[C@H](C)[C@H](CN2CCO[C@@H]2C(C)C)[C@@H](C)C1 ZINC000061854985 570273957 /nfs/dbraw/zinc/27/39/57/570273957.db2.gz ZINAYKAEPVIUEM-YHUYYLMFSA-N 0 3 251.414 3.539 50 0 CHAAHN CN(CCOc1ccccc1)[C@H](c1ccccn1)C1CC1 ZINC000244874617 570321348 /nfs/dbraw/zinc/32/13/48/570321348.db2.gz XEKRCBFQOXGOSL-SFHVURJKSA-N 0 3 282.387 3.544 50 0 CHAAHN Cc1ccc(CNCc2ccc(Cn3cccn3)cc2)s1 ZINC000084205560 570336626 /nfs/dbraw/zinc/33/66/26/570336626.db2.gz RISMQCJGZZJAQP-UHFFFAOYSA-N 0 3 297.427 3.591 50 0 CHAAHN O[C@@H](CNCc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000035111611 570339392 /nfs/dbraw/zinc/33/93/92/570339392.db2.gz NZWXINLHBKTCLN-HNNXBMFYSA-N 0 3 295.304 3.529 50 0 CHAAHN Cc1[nH]c2ccc(Cl)cc2c1CCNCc1ccccn1 ZINC000036657780 570361511 /nfs/dbraw/zinc/36/15/11/570361511.db2.gz GYGLIHNWANELLZ-UHFFFAOYSA-N 0 3 299.805 3.857 50 0 CHAAHN c1c2ccccc2oc1-c1noc(C23CCCN2CCC3)n1 ZINC000253431457 570386100 /nfs/dbraw/zinc/38/61/00/570386100.db2.gz RZEHOUIZIFZCDF-UHFFFAOYSA-N 0 3 295.342 3.568 50 0 CHAAHN Cc1cccc([C@@H]2CCCN2Cc2cccc3c[nH]nc32)n1 ZINC000093453331 570396239 /nfs/dbraw/zinc/39/62/39/570396239.db2.gz ZJRPLMJWLUSZHQ-KRWDZBQOSA-N 0 3 292.386 3.603 50 0 CHAAHN CCCOC[C@H]1CCN(Cc2cccc(OC(F)F)c2)C1 ZINC000670451876 570400106 /nfs/dbraw/zinc/40/01/06/570400106.db2.gz ZCPBOEMKDUXZJY-AWEZNQCLSA-N 0 3 299.361 3.537 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CN[C@@H](C)[C@H](C)CO)o1 ZINC000077420738 570404986 /nfs/dbraw/zinc/40/49/86/570404986.db2.gz UHFIKTIOBBEJTC-YPMHNXCESA-N 0 3 291.366 3.501 50 0 CHAAHN CC[C@@H](NCc1cnc(SC)nc1)c1cccs1 ZINC000952982703 615536134 /nfs/dbraw/zinc/53/61/34/615536134.db2.gz QRHNVBNYZZMTSP-LLVKDONJSA-N 0 3 279.434 3.501 50 0 CHAAHN Cc1noc2ncc(CNC(C)(C)c3ccccc3)cc12 ZINC000585137249 1120532366 /nfs/dbraw/zinc/53/23/66/1120532366.db2.gz OONPVUHUJQCUJQ-UHFFFAOYSA-N 0 3 281.359 3.556 50 0 CHAAHN CCCC[C@H](NCc1nc(-c2ccoc2)no1)C1CCC1 ZINC000184875855 1129259735 /nfs/dbraw/zinc/25/97/35/1129259735.db2.gz SHQWBPQZAZZXFQ-AWEZNQCLSA-N 0 3 289.379 3.778 50 0 CHAAHN O=C(Nc1ccccc1CN1CCCC1)[C@H]1CC=CCC1 ZINC000041970847 1131653696 /nfs/dbraw/zinc/65/36/96/1131653696.db2.gz RHAVWTYZIZGUNG-HNNXBMFYSA-N 0 3 284.403 3.577 50 0 CHAAHN C[C@@H](NCc1cnc(-c2ccco2)nc1)C1=CCCCC1 ZINC000952966442 1132016599 /nfs/dbraw/zinc/01/65/99/1132016599.db2.gz TZUCGKPXNUMJFF-CYBMUJFWSA-N 0 3 283.375 3.715 50 0 CHAAHN Cc1cc(C)c([C@@H](C)N[C@H](C)c2cnn(C)c2)cc1C ZINC000095968481 185046495 /nfs/dbraw/zinc/04/64/95/185046495.db2.gz PBCFQAYEUNFVCA-HUUCEWRRSA-N 0 3 271.408 3.757 50 0 CHAAHN Cc1nn(C(C)C)c(C)c1[C@@H](C)NC[C@H]1CCCS1 ZINC000095969258 185047818 /nfs/dbraw/zinc/04/78/18/185047818.db2.gz NBHVALBJZYFCFB-BXUZGUMPSA-N 0 3 281.469 3.627 50 0 CHAAHN Cc1nn(C(C)C)c(C)c1[C@H](C)NC[C@H]1CCCS1 ZINC000095969259 185047989 /nfs/dbraw/zinc/04/79/89/185047989.db2.gz NBHVALBJZYFCFB-SMDDNHRTSA-N 0 3 281.469 3.627 50 0 CHAAHN CCc1ccc(CN[C@](C)(COC)c2ccccc2)cc1 ZINC000095985809 185054871 /nfs/dbraw/zinc/05/48/71/185054871.db2.gz XFQPOFXVIGSDRP-LJQANCHMSA-N 0 3 283.415 3.900 50 0 CHAAHN CC[C@H](NCc1ccc(C(C)C)cc1)c1cncn1C ZINC000095996307 185060222 /nfs/dbraw/zinc/06/02/22/185060222.db2.gz ZRMUNANHRBLFBF-INIZCTEOSA-N 0 3 271.408 3.784 50 0 CHAAHN CN(C)CCOc1ccccc1-c1cccc2cccnc21 ZINC000096149116 185107444 /nfs/dbraw/zinc/10/74/44/185107444.db2.gz UEUNJHLELOIMTK-UHFFFAOYSA-N 0 3 292.382 3.842 50 0 CHAAHN c1cc(CNCc2cccc(OCc3ccccc3)c2)c[nH]1 ZINC000086251110 179256026 /nfs/dbraw/zinc/25/60/26/179256026.db2.gz FIWUIKCFWGIILD-UHFFFAOYSA-N 0 3 292.382 3.884 50 0 CHAAHN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@H](C)C1 ZINC000106521601 186124025 /nfs/dbraw/zinc/12/40/25/186124025.db2.gz KGAQXFONLOFKIA-LSDHHAIUSA-N 0 3 296.414 3.899 50 0 CHAAHN Cc1cc(C)n(CCN2CCCCC[C@H]2c2ccco2)n1 ZINC000265661126 190197791 /nfs/dbraw/zinc/19/77/91/190197791.db2.gz XFRDATIBNSXGPE-INIZCTEOSA-N 0 3 287.407 3.710 50 0 CHAAHN C[C@@H](NCc1ccc(CO)cc1)c1ccc(F)c(Cl)c1 ZINC000226560346 256853008 /nfs/dbraw/zinc/85/30/08/256853008.db2.gz OZHYFDOAVRFVAF-LLVKDONJSA-N 0 3 293.769 3.822 50 0 CHAAHN CC1CCN(CCOCCSc2ccccc2)CC1 ZINC000004869107 170033901 /nfs/dbraw/zinc/03/39/01/170033901.db2.gz CHKIMSMFBLOQGT-UHFFFAOYSA-N 0 3 279.449 3.527 50 0 CHAAHN COc1ccc(CN[C@H]2CCCc3ccccc32)cc1OC ZINC000004891816 170036950 /nfs/dbraw/zinc/03/69/50/170036950.db2.gz MXBNOXVVADBBNM-KRWDZBQOSA-N 0 3 297.398 3.871 50 0 CHAAHN CCCCNc1c2ccccc2nc2c1[C@@H](O)CC(C)(C)C2 ZINC000006569721 170214155 /nfs/dbraw/zinc/21/41/55/170214155.db2.gz LFWFLIANIUXLHX-INIZCTEOSA-N 0 3 298.430 3.875 50 0 CHAAHN Cc1nc(CNCC23CC4CC(CC(C4)C2)C3)cs1 ZINC000006651077 170222362 /nfs/dbraw/zinc/22/23/62/170222362.db2.gz ZWAQXTVLGMNDEC-UHFFFAOYSA-N 0 3 276.449 3.758 50 0 CHAAHN CCOc1cc(CNC2CC2)ccc1OCc1ccccc1 ZINC000006662799 170223600 /nfs/dbraw/zinc/22/36/00/170223600.db2.gz SCFUZZIGERORGG-UHFFFAOYSA-N 0 3 297.398 3.916 50 0 CHAAHN CCOc1cccc(CNC)c1OCc1ccc(C)cc1 ZINC000006743163 170238458 /nfs/dbraw/zinc/23/84/58/170238458.db2.gz IIKAZLMBWWWSDT-UHFFFAOYSA-N 0 3 285.387 3.692 50 0 CHAAHN Brc1csc(CNCc2ccccc2)c1 ZINC000006787325 170243532 /nfs/dbraw/zinc/24/35/32/170243532.db2.gz JKMXHZNPYCHJSJ-UHFFFAOYSA-N 0 3 282.206 3.800 50 0 CHAAHN Cc1cccc2c(=O)c(CN3CCCC[C@@H]3C)c(C)[nH]c12 ZINC000008714600 170348754 /nfs/dbraw/zinc/34/87/54/170348754.db2.gz BKKMOZKDUDRLCS-ZDUSSCGKSA-N 0 3 284.403 3.932 50 0 biogenic,in-vitro CHAAHN CC(C)C[C@H](N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000020027997 170973397 /nfs/dbraw/zinc/97/33/97/170973397.db2.gz OKTLQXOVKNSJAJ-SFHVURJKSA-N 0 3 294.398 3.570 50 0 CHAAHN Cc1cccc(CN2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000020166717 171041050 /nfs/dbraw/zinc/04/10/50/171041050.db2.gz UXWMOFDKRIUWHZ-UHFFFAOYSA-N 0 3 298.405 3.984 50 0 CHAAHN COc1ccc([C@@H](N)c2ccccc2)cc1Br ZINC000020522143 171235487 /nfs/dbraw/zinc/23/54/87/171235487.db2.gz LFKWMXRUUQRHBU-AWEZNQCLSA-N 0 3 292.176 3.506 50 0 CHAAHN Cc1noc(C)c1[C@@H]1CCCN1Cc1ccccc1 ZINC000021720719 171320534 /nfs/dbraw/zinc/32/05/34/171320534.db2.gz SYBOPPSFGISSKD-HNNXBMFYSA-N 0 3 256.349 3.629 50 0 CHAAHN Cc1ccc([C@@H](NCc2ccccn2)C2CC2)cc1 ZINC000035257381 172088157 /nfs/dbraw/zinc/08/81/57/172088157.db2.gz YNCHBOPMVWIFHC-QGZVFWFLSA-N 0 3 252.361 3.631 50 0 CHAAHN NCc1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000035719859 172373809 /nfs/dbraw/zinc/37/38/09/172373809.db2.gz RMAYRKSZIPLOID-UHFFFAOYSA-N 0 3 269.131 3.639 50 0 CHAAHN CN1CC=C(c2c[nH]c3cc(Br)ccc32)CC1 ZINC000071613946 176233575 /nfs/dbraw/zinc/23/35/75/176233575.db2.gz ZJHSPAMSFOLWGE-UHFFFAOYSA-N 0 3 291.192 3.649 50 0 CHAAHN CSc1cccc([C@H](N)c2ccc(F)c(F)c2)c1 ZINC000071790395 176262799 /nfs/dbraw/zinc/26/27/99/176262799.db2.gz LVQVJODXVMBRLF-AWEZNQCLSA-N 0 3 265.328 3.735 50 0 CHAAHN Fc1ccc(N2CCCN(Cc3cccs3)CC2)cc1 ZINC000072164874 176331174 /nfs/dbraw/zinc/33/11/74/176331174.db2.gz NEGBLSSFGWIJST-UHFFFAOYSA-N 0 3 290.407 3.600 50 0 CHAAHN C[C@@H](NCc1cnc2ccccn12)c1cccc(Cl)c1 ZINC000072272614 176355119 /nfs/dbraw/zinc/35/51/19/176355119.db2.gz BRDFJVXAMZNQBB-GFCCVEGCSA-N 0 3 285.778 3.839 50 0 CHAAHN Cc1ccc(-c2nc(CCNCc3ccco3)co2)cc1 ZINC000078552477 177353446 /nfs/dbraw/zinc/35/34/46/177353446.db2.gz RZKYVXYLXFSGFC-UHFFFAOYSA-N 0 3 282.343 3.575 50 0 CHAAHN C[C@@H](NCc1ccc(Cl)cc1)[C@H](O)c1ccccc1 ZINC000019871877 326857405 /nfs/dbraw/zinc/85/74/05/326857405.db2.gz IIIZQVIHVSROJK-WBMJQRKESA-N 0 3 275.779 3.552 50 0 CHAAHN CCOc1ccccc1CNCCc1ccc(F)cc1 ZINC000019871751 521502287 /nfs/dbraw/zinc/50/22/87/521502287.db2.gz LDKYYVXWLNOFAL-UHFFFAOYSA-N 0 3 273.351 3.557 50 0 CHAAHN CCc1cc(CCCN[C@@H](C)c2csc(CC)n2)on1 ZINC000242263333 566826459 /nfs/dbraw/zinc/82/64/59/566826459.db2.gz XYEZXIDFMOQSLD-NSHDSACASA-N 0 3 293.436 3.539 50 0 CHAAHN C[C@H](c1cccnc1)N(C)Cc1cccc2[nH]ccc21 ZINC000183730955 566842775 /nfs/dbraw/zinc/84/27/75/566842775.db2.gz HUXVSBNYTDQPCP-CYBMUJFWSA-N 0 3 265.360 3.756 50 0 CHAAHN CCc1ccc(CN2CCC[C@@H](c3n[nH]cc3CC)C2)o1 ZINC000299772622 566853960 /nfs/dbraw/zinc/85/39/60/566853960.db2.gz AGKBCSPILYUEJH-CQSZACIVSA-N 0 3 287.407 3.507 50 0 CHAAHN C[C@H](c1ccccc1)N1CCN(C)c2ccccc2C1 ZINC000084656501 566884628 /nfs/dbraw/zinc/88/46/28/566884628.db2.gz JPNZJIZHVVWEDW-OAHLLOKOSA-N 0 3 266.388 3.700 50 0 CHAAHN CCO[C@H]1C[C@H](NCc2cccc(O)c2)C12CCCCC2 ZINC000075092251 566936463 /nfs/dbraw/zinc/93/64/63/566936463.db2.gz IIRGZAREOFZPFD-IRXDYDNUSA-N 0 3 289.419 3.610 50 0 CHAAHN C[C@H]1[C@H](O)[C@@H](C)[C@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000239305972 566965960 /nfs/dbraw/zinc/96/59/60/566965960.db2.gz GGCLDJYYOISOSI-CTMNZFAUSA-N 0 3 281.399 3.705 50 0 CHAAHN C[C@H]1[C@H](O)[C@@H](C)[C@@H](c2cccs2)N[C@H]1c1cccs1 ZINC000239562563 566966875 /nfs/dbraw/zinc/96/68/75/566966875.db2.gz CPNYMZKNSCYTRC-LUAZQSQASA-N 0 3 293.457 3.828 50 0 CHAAHN CC[C@](C)(NCC[C@H]1CCCCO1)c1nc(C)cs1 ZINC000170076836 567005782 /nfs/dbraw/zinc/00/57/82/567005782.db2.gz QQIAVNYMQSXZIM-HIFRSBDPSA-N 0 3 282.453 3.626 50 0 CHAAHN Cc1n[nH]c(C)c1CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000065473225 567008495 /nfs/dbraw/zinc/00/84/95/567008495.db2.gz AKRAPELHNVXLPI-MRXNPFEDSA-N 0 3 289.810 3.921 50 0 CHAAHN C[C@H]1CC[C@@H](CNC2(c3ccc(F)cc3F)CCCC2)O1 ZINC000170608594 567013618 /nfs/dbraw/zinc/01/36/18/567013618.db2.gz PVOVHZVENKVSNS-JSGCOSHPSA-N 0 3 295.373 3.891 50 0 CHAAHN CN(C)CC[C@H]1Cc2ccc(F)cc2C(=O)c2ccccc21 ZINC000019865046 567088560 /nfs/dbraw/zinc/08/85/60/567088560.db2.gz AJDSKAIDFXGPJF-AWEZNQCLSA-N 0 3 297.373 3.648 50 0 CHAAHN Fc1ccc(OCCCCCCN2CCSCC2)cc1 ZINC000002314155 567100209 /nfs/dbraw/zinc/10/02/09/567100209.db2.gz XVHFEZGDLOZWRO-UHFFFAOYSA-N 0 3 297.439 3.814 50 0 CHAAHN C[C@@H]1CC2=C(C[C@H]1CN1CCN(C)CC1)C(C)(C)CCC2 ZINC000019703376 567121876 /nfs/dbraw/zinc/12/18/76/567121876.db2.gz DNZOJJXQVWDKTC-WBVHZDCISA-N 0 3 290.495 3.787 50 0 biogenic CHAAHN COc1ccc(CN[C@H](C)c2ccc(C)s2)s1 ZINC000095418512 567131635 /nfs/dbraw/zinc/13/16/35/567131635.db2.gz GIKXYOPWYYGJGP-SNVBAGLBSA-N 0 3 267.419 3.977 50 0 CHAAHN Cc1cc(NC[C@@H]2CCO[C@H](C)C2)c2ccccc2n1 ZINC000095458012 567134686 /nfs/dbraw/zinc/13/46/86/567134686.db2.gz ZFRBPGDWGDAJRV-ZIAGYGMSSA-N 0 3 270.376 3.770 50 0 CHAAHN CCCCN1CCN(c2ccccc2SCC)CC1 ZINC000096026630 567138302 /nfs/dbraw/zinc/13/83/02/567138302.db2.gz FOOBSEINSXQYFP-UHFFFAOYSA-N 0 3 278.465 3.721 50 0 CHAAHN CCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000057095786 567155180 /nfs/dbraw/zinc/15/51/80/567155180.db2.gz FVGXVARSBZSODC-WRFANHODSA-N 0 3 292.467 3.706 50 0 CHAAHN CC[C@H](C(=O)Nc1ccc(CN(C)C)cc1)c1ccccc1 ZINC000029951975 567160463 /nfs/dbraw/zinc/16/04/63/567160463.db2.gz VVOHFVZEJRCXRL-SFHVURJKSA-N 0 3 296.414 3.881 50 0 CHAAHN Cc1nc(CN(C)C[C@@]2(c3ccccc3)CC2(C)C)c[nH]1 ZINC000670446018 567176789 /nfs/dbraw/zinc/17/67/89/567176789.db2.gz QKVILWRFDCAFRW-GOSISDBHSA-N 0 3 283.419 3.518 50 0 CHAAHN Cc1ncc(CN(C)C[C@@]2(c3ccccc3)CC2(C)C)[nH]1 ZINC000670446018 567176797 /nfs/dbraw/zinc/17/67/97/567176797.db2.gz QKVILWRFDCAFRW-GOSISDBHSA-N 0 3 283.419 3.518 50 0 CHAAHN CCc1ccc(CN2CCN(c3ccccc3C)CC2)cc1 ZINC000001227292 567836523 /nfs/dbraw/zinc/83/65/23/567836523.db2.gz DXKZPRZZMRQJBI-UHFFFAOYSA-N 0 3 294.442 3.880 50 0 CHAAHN Cc1ccc(C(=O)c2ccc(CN3CCCC3)cc2)cc1 ZINC000002514547 567846374 /nfs/dbraw/zinc/84/63/74/567846374.db2.gz YTFCJRMAWOOWPC-UHFFFAOYSA-N 0 3 279.383 3.822 50 0 CHAAHN O=C(c1ccc(CN2CCCC2)cc1)c1ccccc1F ZINC000002514575 567846417 /nfs/dbraw/zinc/84/64/17/567846417.db2.gz RVBRWQXILHFKBR-UHFFFAOYSA-N 0 3 283.346 3.653 50 0 CHAAHN C[C@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1F ZINC000003904960 567854399 /nfs/dbraw/zinc/85/43/99/567854399.db2.gz RVQIYLDWJBKUAL-MELADBBJSA-N 0 3 293.382 3.634 50 0 CHAAHN CN(C)CCOC1c2ccccc2C=Cc2ccccc21 ZINC000004167830 567855629 /nfs/dbraw/zinc/85/56/29/567855629.db2.gz DUONCNQHPXEHDQ-UHFFFAOYSA-N 0 3 279.383 3.838 50 0 CHAAHN CSc1ccccc1C(=O)[C@H]1CCCN(C2CCC2)C1 ZINC000012584658 567863342 /nfs/dbraw/zinc/86/33/42/567863342.db2.gz NDWCHZVKDYKROF-ZDUSSCGKSA-N 0 3 289.444 3.856 50 0 CHAAHN Cc1cc(C)c2oc(=O)cc(CN3CCCC[C@H]3C)c2c1 ZINC000004340540 567863613 /nfs/dbraw/zinc/86/36/13/567863613.db2.gz VWTDWWJXPHNTEY-CQSZACIVSA-N 0 3 285.387 3.784 50 0 CHAAHN CN(Cc1cc(Cl)cc2c1OCOC2)C1CCCCC1 ZINC000032668122 567864301 /nfs/dbraw/zinc/86/43/01/567864301.db2.gz DRRCGFUXZNWWED-UHFFFAOYSA-N 0 3 295.810 3.971 50 0 CHAAHN CCc1onc(C)c1[C@@H]1CCCN1Cc1cccs1 ZINC000015866947 567871242 /nfs/dbraw/zinc/87/12/42/567871242.db2.gz FLEVOTDDAKLIQH-ZDUSSCGKSA-N 0 3 276.405 3.944 50 0 CHAAHN Cc1ccc(CN2CCC(Cc3ccccc3F)CC2)cn1 ZINC000019222288 567877141 /nfs/dbraw/zinc/87/71/41/567877141.db2.gz FKIMMZPIDXYXOX-UHFFFAOYSA-N 0 3 298.405 3.984 50 0 CHAAHN CC(C)Cc1c[nH]nc1[C@H]1CCCN(Cc2ccoc2)C1 ZINC000019744319 567878732 /nfs/dbraw/zinc/87/87/32/567878732.db2.gz OXZUQRGFRUVTHX-HNNXBMFYSA-N 0 3 287.407 3.581 50 0 CHAAHN CCCCCCOc1ccccc1CNC[C@H]1CCCO1 ZINC000019737902 567878866 /nfs/dbraw/zinc/87/88/66/567878866.db2.gz PXLSEKFYYRXMSB-QGZVFWFLSA-N 0 3 291.435 3.914 50 0 CHAAHN Fc1ccccc1CC1CCN(Cc2cccnc2)CC1 ZINC000019782491 567879039 /nfs/dbraw/zinc/87/90/39/567879039.db2.gz SMNFZIXZTPJFCJ-UHFFFAOYSA-N 0 3 284.378 3.675 50 0 CHAAHN Clc1cccc(CN2CCN(C3CCCCC3)CC2)c1 ZINC000019788649 567879274 /nfs/dbraw/zinc/87/92/74/567879274.db2.gz DAYPHYDOPIRMCD-UHFFFAOYSA-N 0 3 292.854 3.790 50 0 CHAAHN CCCCCNCc1cc(Br)ccc1F ZINC000019901222 567879675 /nfs/dbraw/zinc/87/96/75/567879675.db2.gz DDNYLUJOLSBDGP-UHFFFAOYSA-N 0 3 274.177 3.868 50 0 CHAAHN Cc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(F)cc1 ZINC000019957867 567880231 /nfs/dbraw/zinc/88/02/31/567880231.db2.gz PGRKEHDQDLLYOH-KRWDZBQOSA-N 0 3 280.346 3.851 50 0 CHAAHN CCn1ncc2c1CCC[C@@H]2NCc1cccc(Cl)c1 ZINC000072298483 567885047 /nfs/dbraw/zinc/88/50/47/567885047.db2.gz UJJLSEIGQSYKBC-HNNXBMFYSA-N 0 3 289.810 3.724 50 0 CHAAHN O[C@@H](CNCc1ccccc1)c1ccccc1C(F)(F)F ZINC000048555427 567892879 /nfs/dbraw/zinc/89/28/79/567892879.db2.gz AEWYIHDASOFNPG-HNNXBMFYSA-N 0 3 295.304 3.529 50 0 CHAAHN O=C(OCNC1CCCCC1)Sc1ccccc1 ZINC000063360870 567897564 /nfs/dbraw/zinc/89/75/64/567897564.db2.gz ZHXSWRCEDVXEAC-UHFFFAOYSA-N 0 3 265.378 3.795 50 0 CHAAHN Cc1cc([C@H]2CCCN2Cc2ccc(C)c(C)c2)on1 ZINC000064666821 567898029 /nfs/dbraw/zinc/89/80/29/567898029.db2.gz QAGWTDYZUGIEES-MRXNPFEDSA-N 0 3 270.376 3.937 50 0 CHAAHN C[C@@H](Cc1ccccn1)N(C)Cc1cc2ccccc2o1 ZINC000065381939 567898382 /nfs/dbraw/zinc/89/83/82/567898382.db2.gz RHTQLJVUFOVOSB-AWEZNQCLSA-N 0 3 280.371 3.891 50 0 CHAAHN CC[C@@H](C)NCc1cc(-c2ccccc2Cl)on1 ZINC000065396530 567899091 /nfs/dbraw/zinc/89/90/91/567899091.db2.gz NOSOIHMGTQTKTA-SNVBAGLBSA-N 0 3 264.756 3.883 50 0 CHAAHN COc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1CN(C)C ZINC000067688681 567900066 /nfs/dbraw/zinc/90/00/66/567900066.db2.gz JBYSMEZMHMSDOE-UHFFFAOYSA-N 0 3 295.386 3.609 50 0 CHAAHN COc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1CN(C)C ZINC000067688681 567900067 /nfs/dbraw/zinc/90/00/67/567900067.db2.gz JBYSMEZMHMSDOE-UHFFFAOYSA-N 0 3 295.386 3.609 50 0 CHAAHN CC(C)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000067788057 567900606 /nfs/dbraw/zinc/90/06/06/567900606.db2.gz IRMZWNZVIMFBAI-UHFFFAOYSA-N 0 3 276.767 3.762 50 0 CHAAHN c1c2ccccc2oc1-c1ccccc1N1CCNCC1 ZINC000067803217 567900654 /nfs/dbraw/zinc/90/06/54/567900654.db2.gz QNIMWIZHWSMELQ-UHFFFAOYSA-N 0 3 278.355 3.509 50 0 CHAAHN Cc1cccc([C@@H](Cn2ccnc2-c2ccco2)N(C)C)c1 ZINC000072479269 567902998 /nfs/dbraw/zinc/90/29/98/567902998.db2.gz GPTXVQCOTNBIJB-MRXNPFEDSA-N 0 3 295.386 3.754 50 0 CHAAHN CSc1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000097823206 567911383 /nfs/dbraw/zinc/91/13/83/567911383.db2.gz AHKYFPWOPWAPEZ-OAHLLOKOSA-N 0 3 299.443 3.578 50 0 CHAAHN c1csc(-c2ccc(-c3nc4c([nH]3)CNCC4)s2)c1 ZINC000097797289 567911417 /nfs/dbraw/zinc/91/14/17/567911417.db2.gz RBCCNUPXJKHXJZ-UHFFFAOYSA-N 0 3 287.413 3.512 50 0 CHAAHN Cc1cc2c3ccc(C)n3ccn2c1CN1CCCCC1 ZINC000018193245 567940606 /nfs/dbraw/zinc/94/06/06/567940606.db2.gz LLVPULZSIHXPSY-UHFFFAOYSA-N 0 3 281.403 3.795 50 0 CHAAHN COc1ccc(CNCCC2=CCCCC2)c(OC)c1 ZINC000013723773 567942179 /nfs/dbraw/zinc/94/21/79/567942179.db2.gz DDUNRXZWRAHTKZ-UHFFFAOYSA-N 0 3 275.392 3.684 50 0 CHAAHN Cc1ccc(O)c(CN[C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000103341102 567942666 /nfs/dbraw/zinc/94/26/66/567942666.db2.gz GPMFGOGUAMIBKO-CQSZACIVSA-N 0 3 296.414 3.825 50 0 CHAAHN Cc1ccc([O-])c(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000103341102 567942667 /nfs/dbraw/zinc/94/26/67/567942667.db2.gz GPMFGOGUAMIBKO-CQSZACIVSA-N 0 3 296.414 3.825 50 0 CHAAHN CSc1ccccc1CN1CCC(c2cc[nH]n2)CC1 ZINC000216428035 567947636 /nfs/dbraw/zinc/94/76/36/567947636.db2.gz WNUYNWSJAXCBGX-UHFFFAOYSA-N 0 3 287.432 3.511 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CNC[C@@H]2CCCO2)o1 ZINC000225392242 567953502 /nfs/dbraw/zinc/95/35/02/567953502.db2.gz PRCFDFCWQACROC-ZDUSSCGKSA-N 0 3 289.350 3.663 50 0 CHAAHN CC[C@@H](O)CCNCc1ccc(-c2cccc(F)c2C)o1 ZINC000225477664 567953580 /nfs/dbraw/zinc/95/35/80/567953580.db2.gz LRGUXUCOHWGOIH-CYBMUJFWSA-N 0 3 291.366 3.645 50 0 CHAAHN CC[C@H](O)CCNCc1ccc(-c2cccc(F)c2C)o1 ZINC000225477701 567953804 /nfs/dbraw/zinc/95/38/04/567953804.db2.gz LRGUXUCOHWGOIH-ZDUSSCGKSA-N 0 3 291.366 3.645 50 0 CHAAHN CN(CCSC1CCCCC1)CCc1ccncc1 ZINC000225722298 567954672 /nfs/dbraw/zinc/95/46/72/567954672.db2.gz VBYPBDRHYDGYOV-UHFFFAOYSA-N 0 3 278.465 3.622 50 0 CHAAHN OCc1ccc(CN2CCC[C@@H](CCc3ccccc3)C2)o1 ZINC000011874838 570220802 /nfs/dbraw/zinc/22/08/02/570220802.db2.gz XYWIVKCJZUMXCS-KRWDZBQOSA-N 0 3 299.414 3.617 50 0 CHAAHN c1nc2ccccc2n1CN1CC=C(c2ccccc2)CC1 ZINC000025286242 570230119 /nfs/dbraw/zinc/23/01/19/570230119.db2.gz AVGIQRYAGVZRCF-UHFFFAOYSA-N 0 3 289.382 3.783 50 0 CHAAHN CSc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000039454742 570234970 /nfs/dbraw/zinc/23/49/70/570234970.db2.gz UIXXCPIZWSSKOW-AWEZNQCLSA-N 0 3 287.432 3.511 50 0 CHAAHN Cc1nc(CN2CCC[C@H](CCc3ccccc3C)C2)c[nH]1 ZINC000055120218 570240998 /nfs/dbraw/zinc/24/09/98/570240998.db2.gz VEKGSSYOBVZSFM-QGZVFWFLSA-N 0 3 297.446 3.871 50 0 CHAAHN Cc1ncc(CN2CCC[C@H](CCc3ccccc3C)C2)[nH]1 ZINC000055120218 570241000 /nfs/dbraw/zinc/24/10/00/570241000.db2.gz VEKGSSYOBVZSFM-QGZVFWFLSA-N 0 3 297.446 3.871 50 0 CHAAHN Cc1nc(CN2CCC[C@@H](CCc3ccccc3C)C2)c[nH]1 ZINC000055120217 570241267 /nfs/dbraw/zinc/24/12/67/570241267.db2.gz VEKGSSYOBVZSFM-KRWDZBQOSA-N 0 3 297.446 3.871 50 0 CHAAHN Cc1ncc(CN2CCC[C@@H](CCc3ccccc3C)C2)[nH]1 ZINC000055120217 570241268 /nfs/dbraw/zinc/24/12/68/570241268.db2.gz VEKGSSYOBVZSFM-KRWDZBQOSA-N 0 3 297.446 3.871 50 0 CHAAHN CN(CCCSc1ccccc1)Cc1ccoc1 ZINC000055196215 570241461 /nfs/dbraw/zinc/24/14/61/570241461.db2.gz SWBKUCULDVSESI-UHFFFAOYSA-N 0 3 261.390 3.894 50 0 CHAAHN Cc1ccc(O)c(CN(Cc2ccco2)[C@H](C)C(C)C)n1 ZINC000055393684 570243167 /nfs/dbraw/zinc/24/31/67/570243167.db2.gz SXRYYJURSAFUCL-CQSZACIVSA-N 0 3 288.391 3.735 50 0 CHAAHN Cc1ccc([O-])c(C[N@@H+](Cc2ccco2)[C@H](C)C(C)C)n1 ZINC000055393684 570243168 /nfs/dbraw/zinc/24/31/68/570243168.db2.gz SXRYYJURSAFUCL-CQSZACIVSA-N 0 3 288.391 3.735 50 0 CHAAHN Cc1ccc([O-])c(C[N@H+](Cc2ccco2)[C@H](C)C(C)C)n1 ZINC000055393684 570243171 /nfs/dbraw/zinc/24/31/71/570243171.db2.gz SXRYYJURSAFUCL-CQSZACIVSA-N 0 3 288.391 3.735 50 0 CHAAHN C[C@H](NC1CCCC1)c1nc2c(s1)CCCC2 ZINC000065525994 570244661 /nfs/dbraw/zinc/24/46/61/570244661.db2.gz BOAWKNGSUGKAPE-JTQLQIEISA-N 0 3 250.411 3.615 50 0 CHAAHN O=C(C[C@@H]1C=CCC1)Nc1cccc(CN2CCCCC2)c1 ZINC000048314214 570297246 /nfs/dbraw/zinc/29/72/46/570297246.db2.gz FULGSUWOZWHCCX-MRXNPFEDSA-N 0 3 298.430 3.967 50 0 CHAAHN C[C@H]1CCCN(Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000063308490 570325932 /nfs/dbraw/zinc/32/59/32/570325932.db2.gz YGFMNDDVMCISSZ-NSHDSACASA-N 0 3 281.783 3.691 50 0 CHAAHN C[C@H](CN1CCCCC1)Nc1nc2ccccc2s1 ZINC000047873393 570341653 /nfs/dbraw/zinc/34/16/53/570341653.db2.gz FKMDFAOYUGNJPD-GFCCVEGCSA-N 0 3 275.421 3.583 50 0 CHAAHN CN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000013136778 570360697 /nfs/dbraw/zinc/36/06/97/570360697.db2.gz GWFPZNWTHIITBJ-SJORKVTESA-N 0 3 299.801 3.868 50 0 CHAAHN Cc1cc(C)n(CCCNc2cc(C)nc3ccccc32)n1 ZINC000089594193 570366585 /nfs/dbraw/zinc/36/65/85/570366585.db2.gz ZSISFTNOCYCEPK-UHFFFAOYSA-N 0 3 294.402 3.859 50 0 CHAAHN C[C@@H]1CSc2ccccc2[C@H]1NCc1cccnc1 ZINC000095427020 570371706 /nfs/dbraw/zinc/37/17/06/570371706.db2.gz RACKREXTFQOYNZ-WBMJQRKESA-N 0 3 270.401 3.654 50 0 CHAAHN CC(C)=CCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000075696345 570404981 /nfs/dbraw/zinc/40/49/81/570404981.db2.gz FCSQUIJRUOMZJM-AWEZNQCLSA-N 0 3 270.376 3.973 50 0 CHAAHN CC[C@H](C)Oc1cccc(CNCc2cccc(CO)c2)c1 ZINC000952966713 615681725 /nfs/dbraw/zinc/68/17/25/615681725.db2.gz FRHFXJYVLUTZMU-HNNXBMFYSA-N 0 3 299.414 3.646 50 0 CHAAHN CC[C@@H](C(=O)Nc1ccccc1CN(C)C)c1ccccc1 ZINC000024809030 1125587067 /nfs/dbraw/zinc/58/70/67/1125587067.db2.gz NWZADFDTBBTORU-QGZVFWFLSA-N 0 3 296.414 3.881 50 0 CHAAHN Cc1ncsc1CCN1Cc2ccccc2C2(CCC2)C1 ZINC000352353568 1128555633 /nfs/dbraw/zinc/55/56/33/1128555633.db2.gz ZFKRPMZSGZKPED-UHFFFAOYSA-N 0 3 298.455 3.932 50 0 CHAAHN c1coc(CCCN2CCCC[C@H]2c2ccccn2)c1 ZINC000252485702 1121653212 /nfs/dbraw/zinc/65/32/12/1121653212.db2.gz HBUOCBTVZZUTJW-KRWDZBQOSA-N 0 3 270.376 3.834 50 0 CHAAHN c1c2ccccc2oc1CN[C@H]1COc2ccccc2C1 ZINC000020905823 1129848284 /nfs/dbraw/zinc/84/82/84/1129848284.db2.gz OBGXRUUWSUMLKA-OAHLLOKOSA-N 0 3 279.339 3.526 50 0 CHAAHN Cc1nc([C@H](C)NCC(=CCC(C)C)c2ccccc2)n[nH]1 ZINC000952868403 1132016141 /nfs/dbraw/zinc/01/61/41/1132016141.db2.gz NFGYVMDAKFHRRA-MPMPPSQCSA-N 0 3 298.434 3.893 50 0 CHAAHN C[C@H](C(=O)Nc1cccc(Cl)c1)N1C[C@H](C)C[C@H](C)C1 ZINC000108929059 186237347 /nfs/dbraw/zinc/23/73/47/186237347.db2.gz MXNXUGZLEBGSEG-FRRDWIJNSA-N 0 3 294.826 3.645 50 0 CHAAHN COCCC1(NCc2cc(F)c(F)cc2F)CCCC1 ZINC000154266731 188132272 /nfs/dbraw/zinc/13/22/72/188132272.db2.gz HGCHVILAMJSMSC-UHFFFAOYSA-N 0 3 287.325 3.543 50 0 CHAAHN c1ccc(COc2cccc(CNC[C@H]3CCCO3)c2)cc1 ZINC000004700845 170001327 /nfs/dbraw/zinc/00/13/27/170001327.db2.gz IOAMRPKRUAPWOJ-LJQANCHMSA-N 0 3 297.398 3.534 50 0 CHAAHN COc1ccc(-c2cc(CN3CCC[C@@H](C)C3)on2)cc1 ZINC000004776602 170015910 /nfs/dbraw/zinc/01/59/10/170015910.db2.gz CFGZHDKSMHPDJF-CYBMUJFWSA-N 0 3 286.375 3.582 50 0 CHAAHN CC1CCN(CCOc2cccc(Br)c2)CC1 ZINC000004845435 170029761 /nfs/dbraw/zinc/02/97/61/170029761.db2.gz INVFMJKFELVUKU-UHFFFAOYSA-N 0 3 298.224 3.560 50 0 CHAAHN COc1ccc(CN[C@H]2CCCc3ccccc32)c(OC)c1 ZINC000004891727 170036890 /nfs/dbraw/zinc/03/68/90/170036890.db2.gz STSLPNQNBVMGPK-SFHVURJKSA-N 0 3 297.398 3.871 50 0 CHAAHN CC(C)(CO)NCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942963 170043453 /nfs/dbraw/zinc/04/34/53/170043453.db2.gz ZFKNVVIQECKZTH-UHFFFAOYSA-N 0 3 297.757 3.600 50 0 CHAAHN Cc1ccc2c(CN3C[C@H](C)C[C@H](C)C3)cc(=O)oc2c1C ZINC000005252569 170079987 /nfs/dbraw/zinc/07/99/87/170079987.db2.gz VGENLWPZZMPKNW-BETUJISGSA-N 0 3 299.414 3.888 50 0 biogenic CHAAHN Cc1ccc(COc2cccc(CNC3CC3)c2)cc1 ZINC000006742846 170238226 /nfs/dbraw/zinc/23/82/26/170238226.db2.gz HISSJBNSXGYHRI-UHFFFAOYSA-N 0 3 267.372 3.826 50 0 CHAAHN Clc1ccccc1-c1ccc(CNC[C@@H]2CCCO2)o1 ZINC000006746084 170238919 /nfs/dbraw/zinc/23/89/19/170238919.db2.gz FCTMGISVRDPTGY-LBPRGKRZSA-N 0 3 291.778 3.869 50 0 CHAAHN Cc1[nH]c2ccc(F)cc2c(=O)c1CN1CCCCCC1 ZINC000008717120 170349227 /nfs/dbraw/zinc/34/92/27/170349227.db2.gz YEGPPOPSNALHEY-UHFFFAOYSA-N 0 3 288.366 3.764 50 0 CHAAHN CN(CCOc1ccc(Cl)cc1)Cc1ccccc1 ZINC000008752936 170354464 /nfs/dbraw/zinc/35/44/64/170354464.db2.gz UDMXNAGERXSOIB-UHFFFAOYSA-N 0 3 275.779 3.851 50 0 CHAAHN CCC(C)(C)NCC(=O)Nc1cccc2ccccc21 ZINC000009494806 170378748 /nfs/dbraw/zinc/37/87/48/170378748.db2.gz VFOZKRKCCIKIQT-UHFFFAOYSA-N 0 3 270.376 3.557 50 0 CHAAHN Cc1ccc(CN2CCC(Cc3ccccc3)CC2)cn1 ZINC000020294109 171134307 /nfs/dbraw/zinc/13/43/07/171134307.db2.gz SNWXGUGFCOKZQH-UHFFFAOYSA-N 0 3 280.415 3.845 50 0 CHAAHN CN(C)/C=C/C=C/c1cc(=O)cc(/C=C/c2ccccc2)o1 ZINC000055561978 175580585 /nfs/dbraw/zinc/58/05/85/175580585.db2.gz AXBRADMFXUONOQ-FLLDCSHNSA-N 0 3 293.366 3.899 50 0 CHAAHN CC[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CCN1C(C)C ZINC000072168069 176331753 /nfs/dbraw/zinc/33/17/53/176331753.db2.gz ZIBFKRMCSCHCRY-MRXNPFEDSA-N 0 3 298.833 3.784 50 0 CHAAHN CN(C)CCO[C@H](c1ccc(F)cc1)c1ccccc1F ZINC000252510312 328105912 /nfs/dbraw/zinc/10/59/12/328105912.db2.gz ZGSVAPHMVNXVJF-QGZVFWFLSA-N 0 3 291.341 3.632 50 0 CHAAHN N[C@H](c1ccccc1)c1cccc(C(F)(F)F)c1F ZINC000094598821 328817421 /nfs/dbraw/zinc/81/74/21/328817421.db2.gz BSFPICPZTDUAPU-CYBMUJFWSA-N 0 3 269.241 3.893 50 0 CHAAHN COCc1cccc(CNCc2ccc(Cl)s2)c1 ZINC000037999881 523053667 /nfs/dbraw/zinc/05/36/67/523053667.db2.gz PTARYFFXSQKFPP-UHFFFAOYSA-N 0 3 281.808 3.838 50 0 CHAAHN CCC(C)(C)NCc1ccccc1Br ZINC000019880326 567879839 /nfs/dbraw/zinc/87/98/39/567879839.db2.gz REPNKQPNEGDVII-UHFFFAOYSA-N 0 3 256.187 3.727 50 0 CHAAHN FC(F)(F)[C@H](CN1CCCCC1)OC1CCCCC1 ZINC000001392941 566869832 /nfs/dbraw/zinc/86/98/32/566869832.db2.gz FSHIPIWVYHEIGI-ZDUSSCGKSA-N 0 3 279.346 3.753 50 0 CHAAHN Cc1n[nH]c(C)c1CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000065473230 567008181 /nfs/dbraw/zinc/00/81/81/567008181.db2.gz AKRAPELHNVXLPI-INIZCTEOSA-N 0 3 289.810 3.921 50 0 CHAAHN c1cc(OC2CCCC2)ccc1N[C@@H]1CN2CCC1CC2 ZINC000037016159 567009685 /nfs/dbraw/zinc/00/96/85/567009685.db2.gz QTRZWNKSZCFYFU-GOSISDBHSA-N 0 3 286.419 3.514 50 0 CHAAHN Cc1cc(C)c2c(CN3CCC(C)CC3)cc(=O)oc2c1C ZINC000002241097 567073320 /nfs/dbraw/zinc/07/33/20/567073320.db2.gz JIEIDDVGKNGOAO-UHFFFAOYSA-N 0 3 299.414 3.950 50 0 biogenic CHAAHN c1ccc(O[C@@H]2CCCN[C@@H]2c2ccccc2)cc1 ZINC000096027211 567139296 /nfs/dbraw/zinc/13/92/96/567139296.db2.gz NMSLARHWBMBDOA-IAGOWNOFSA-N 0 3 253.345 3.559 50 0 CHAAHN Cc1ccccc1[C@H]1[C@H](OCCN(C)C)CCC[C@@H]1C ZINC000230213548 567160183 /nfs/dbraw/zinc/16/01/83/567160183.db2.gz MBPBUYNCPNBLHG-JQHSSLGASA-N 0 3 275.436 3.845 50 0 CHAAHN O=C1CCCc2c3cc(CN4CCCCC4)ccc3[nH]c21 ZINC000000210383 567822386 /nfs/dbraw/zinc/82/23/86/567822386.db2.gz OCMQUXKUYMPMAT-UHFFFAOYSA-N 0 3 282.387 3.673 50 0 CHAAHN C[C@@H](CN1CCCC1)OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000210656 567822606 /nfs/dbraw/zinc/82/26/06/567822606.db2.gz AXRAWKAINQRNFO-AWEZNQCLSA-N 0 3 289.419 3.625 50 0 CHAAHN CN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000347709 567826172 /nfs/dbraw/zinc/82/61/72/567826172.db2.gz NDHAKDUHGJQXSW-UHFFFAOYSA-N 0 3 291.341 3.632 50 0 CHAAHN CCOCCCNCc1ccccc1OCc1ccccc1 ZINC000002178109 567845260 /nfs/dbraw/zinc/84/52/60/567845260.db2.gz HJVLPYHYXNHOHO-UHFFFAOYSA-N 0 3 299.414 3.782 50 0 CHAAHN Cc1[nH]c2ccc(C)cc2c1CCNCc1ccccn1 ZINC000002455607 567845974 /nfs/dbraw/zinc/84/59/74/567845974.db2.gz VYYIRJZEVOATIL-UHFFFAOYSA-N 0 3 279.387 3.512 50 0 biogenic CHAAHN COc1ccc(C(=O)c2ccc(CN3CCCC3)cc2)cc1 ZINC000002514550 567846404 /nfs/dbraw/zinc/84/64/04/567846404.db2.gz WGNKLEOMNXCKBY-UHFFFAOYSA-N 0 3 295.382 3.522 50 0 CHAAHN Cc1ccc(NC(=O)CCN(C)Cc2ccccc2)cc1C ZINC000002760765 567848974 /nfs/dbraw/zinc/84/89/74/567848974.db2.gz GLXIBYDGQLWXHF-UHFFFAOYSA-N 0 3 296.414 3.764 50 0 CHAAHN CNCc1nc(-c2ccc(C(C)(C)C)cc2)cs1 ZINC000003710578 567853778 /nfs/dbraw/zinc/85/37/78/567853778.db2.gz DCHDQMOAKLRKST-UHFFFAOYSA-N 0 3 260.406 3.827 50 0 CHAAHN C[C@H]1CCCC[C@H]1NCc1nnc(-c2cccc(F)c2)o1 ZINC000097377476 567860533 /nfs/dbraw/zinc/86/05/33/567860533.db2.gz DUBTYBVPTYPING-SMDDNHRTSA-N 0 3 289.354 3.544 50 0 CHAAHN CN(C(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 ZINC000010287119 567861442 /nfs/dbraw/zinc/86/14/42/567861442.db2.gz ZWMVGFMLEDOQBC-UHFFFAOYSA-N 0 3 294.398 3.559 50 0 CHAAHN C/C=C(\C)CN1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000012050953 567862389 /nfs/dbraw/zinc/86/23/89/567862389.db2.gz FKNYLVWADQTXRH-JORANLSZSA-N 0 3 262.372 3.668 50 0 CHAAHN CN1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000013731818 567867680 /nfs/dbraw/zinc/86/76/80/567867680.db2.gz IRJNNZSKGXPISD-UHFFFAOYSA-N 0 3 291.192 3.649 50 0 CHAAHN N[C@H](c1ccc(Br)cc1)c1cccc(F)c1 ZINC000019414904 567877848 /nfs/dbraw/zinc/87/78/48/567877848.db2.gz JZZZTEUUWLTJCJ-CYBMUJFWSA-N 0 3 280.140 3.636 50 0 CHAAHN Cc1ccc2c(c1)[C@@H](c1ccc(Cl)cc1)NCC2 ZINC000019625127 567878084 /nfs/dbraw/zinc/87/80/84/567878084.db2.gz CXXYKWRMHXRPEB-MRXNPFEDSA-N 0 3 257.764 3.884 50 0 CHAAHN COc1ccc(CCNCc2ccccc2Cl)cc1 ZINC000019832213 567879233 /nfs/dbraw/zinc/87/92/33/567879233.db2.gz ZGLXLHFLEFATAX-UHFFFAOYSA-N 0 3 275.779 3.681 50 0 CHAAHN CC(C)CN[C@@H](C)c1ccccc1Br ZINC000019883074 567879716 /nfs/dbraw/zinc/87/97/16/567879716.db2.gz DFMFZIVIWUYHPF-JTQLQIEISA-N 0 3 256.187 3.756 50 0 CHAAHN CCCCN[C@@H](C)c1ccccc1Br ZINC000019907005 567879730 /nfs/dbraw/zinc/87/97/30/567879730.db2.gz PDCQELOYFSUYFS-JTQLQIEISA-N 0 3 256.187 3.900 50 0 CHAAHN CC(C)CN[C@H](C)c1ccccc1Br ZINC000019883075 567879775 /nfs/dbraw/zinc/87/97/75/567879775.db2.gz DFMFZIVIWUYHPF-SNVBAGLBSA-N 0 3 256.187 3.756 50 0 CHAAHN Cc1ncccc1CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000019952889 567880245 /nfs/dbraw/zinc/88/02/45/567880245.db2.gz UREINXJFPWMQCH-UHFFFAOYSA-N 0 3 298.405 3.984 50 0 CHAAHN C[C@H]1CC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000023280496 567881708 /nfs/dbraw/zinc/88/17/08/567881708.db2.gz MUKACTBNOKAZQD-BBRMVZONSA-N 0 3 278.827 3.651 50 0 CHAAHN CNCc1ccccc1Oc1ccc(C)cc1OC ZINC000034825421 567882551 /nfs/dbraw/zinc/88/25/51/567882551.db2.gz KUPYYRDCJKBIQJ-UHFFFAOYSA-N 0 3 257.333 3.515 50 0 CHAAHN Clc1ccc(CN2CCCN(C3CC3)CC2)cc1Cl ZINC000058391431 567896108 /nfs/dbraw/zinc/89/61/08/567896108.db2.gz DJBONEAUIFSCEZ-UHFFFAOYSA-N 0 3 299.245 3.664 50 0 CHAAHN COCCN(CC[C@H](C)SC)Cc1sccc1C ZINC000063833373 567897757 /nfs/dbraw/zinc/89/77/57/567897757.db2.gz SYNURGAOHVCHBU-ZDUSSCGKSA-N 0 3 287.494 3.647 50 0 CHAAHN Cc1cnccc1CN(C)Cc1cn(C)c2ccccc12 ZINC000065381727 567898493 /nfs/dbraw/zinc/89/84/93/567898493.db2.gz KTMMTZSFINXIAJ-UHFFFAOYSA-N 0 3 279.387 3.514 50 0 CHAAHN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc(F)cc1 ZINC000097037038 567902979 /nfs/dbraw/zinc/90/29/79/567902979.db2.gz ISLLPFFAZGQQSP-KSSFIOAISA-N 0 3 299.393 3.543 50 0 CHAAHN CC[C@H](C)NCc1cc(Cl)ccc1Br ZINC000085219862 567907248 /nfs/dbraw/zinc/90/72/48/567907248.db2.gz CODCTQSVVVCCFR-QMMMGPOBSA-N 0 3 276.605 3.991 50 0 CHAAHN CCCCNCc1cc(Cl)ccc1Br ZINC000085219887 567907278 /nfs/dbraw/zinc/90/72/78/567907278.db2.gz SYVXPSYJSVVSSC-UHFFFAOYSA-N 0 3 276.605 3.992 50 0 CHAAHN CN(Cc1ccc2cc(O)ccc2c1)C[C@@H]1CCCCO1 ZINC000097463648 567910464 /nfs/dbraw/zinc/91/04/64/567910464.db2.gz NAXKMAZDUFRXPU-SFHVURJKSA-N 0 3 285.387 3.546 50 0 CHAAHN Cc1ccc([C@@H](C)CCN(C)Cc2c(C)noc2C)o1 ZINC000097600928 567910936 /nfs/dbraw/zinc/91/09/36/567910936.db2.gz KLWKMIDRSALYDI-NSHDSACASA-N 0 3 276.380 3.818 50 0 CHAAHN O[C@H]1CCCN(Cc2ccc(C3CCCC3)s2)CC1 ZINC000097660706 567911019 /nfs/dbraw/zinc/91/10/19/567911019.db2.gz FCJAQJQLUIAWEA-AWEZNQCLSA-N 0 3 279.449 3.753 50 0 CHAAHN COc1ccc2[nH]c3c(c2c1)CCN1C[C@@H]2CCCC[C@H]2[C@@H]31 ZINC000247937542 567928366 /nfs/dbraw/zinc/92/83/66/567928366.db2.gz HKCFIODYAGNXJQ-CFZJUORYSA-N 0 3 296.414 3.896 50 0 biogenic CHAAHN CN1CCC(CSc2cccc(Cl)c2)CC1 ZINC000002529372 567937753 /nfs/dbraw/zinc/93/77/53/567937753.db2.gz POANETFXVQCAOG-UHFFFAOYSA-N 0 3 255.814 3.774 50 0 CHAAHN CC(=O)Nc1ccc(CN[C@@H](C)c2ccccc2C)cc1 ZINC000014168492 567942534 /nfs/dbraw/zinc/94/25/34/567942534.db2.gz DRIPMRJSCSTJNN-AWEZNQCLSA-N 0 3 282.387 3.804 50 0 CHAAHN C([C@@H]1CO[C@]2(CC[C@H]3CCCC[C@@H]3C2)O1)N1CCCCC1 ZINC000101120267 567943632 /nfs/dbraw/zinc/94/36/32/567943632.db2.gz XBGMCAWJVPHBRD-BRSBDYLESA-N 0 3 293.451 3.574 50 0 CHAAHN CSc1ccc(CN[C@@H]2COc3ccccc3C2)cc1 ZINC000015066860 567943879 /nfs/dbraw/zinc/94/38/79/567943879.db2.gz KWYSAFRBEQKSAG-HNNXBMFYSA-N 0 3 285.412 3.502 50 0 CHAAHN C[C@@H]1Cc2ccccc2CN1CCCC(=O)OC(C)(C)C ZINC000225519187 567954070 /nfs/dbraw/zinc/95/40/70/567954070.db2.gz AFYLARMYIVYNDO-CQSZACIVSA-N 0 3 289.419 3.555 50 0 CHAAHN Cc1cccc(NC(=O)CN(C)C[C@@H](C)CC(C)C)c1C ZINC000225626212 567954448 /nfs/dbraw/zinc/95/44/48/567954448.db2.gz MXNLAIWVTKBNGA-AWEZNQCLSA-N 0 3 290.451 3.856 50 0 CHAAHN CC(C)(CO)[C@H](NCc1ccc(F)cc1)c1ccccc1 ZINC000225672692 567954647 /nfs/dbraw/zinc/95/46/47/567954647.db2.gz SDJRMRJBRZFRJZ-QGZVFWFLSA-N 0 3 287.378 3.675 50 0 CHAAHN CCOCCCNCc1ccc(Cl)cc1Cl ZINC000004688967 570216027 /nfs/dbraw/zinc/21/60/27/570216027.db2.gz WEIHRESVMFZNGH-UHFFFAOYSA-N 0 3 262.180 3.510 50 0 CHAAHN CCc1ccc2oc(=O)cc(CN3CCCCCC3)c2c1 ZINC000033087999 570246927 /nfs/dbraw/zinc/24/69/27/570246927.db2.gz TWKDMPCRNULLMP-UHFFFAOYSA-N 0 3 285.387 3.731 50 0 CHAAHN c1ccc(CC2CCN(Cc3cccnc3)CC2)cc1 ZINC000004675665 570247775 /nfs/dbraw/zinc/24/77/75/570247775.db2.gz CEDMLBQYSAIYFU-UHFFFAOYSA-N 0 3 266.388 3.536 50 0 CHAAHN CN(CC[C@@H]1CCCCO1)Cc1ccc(F)c(Cl)c1 ZINC000215986356 570304722 /nfs/dbraw/zinc/30/47/22/570304722.db2.gz WHWOMVRWIWUUEW-ZDUSSCGKSA-N 0 3 285.790 3.870 50 0 CHAAHN C[C@@H](c1cccs1)N(C)Cc1ccc2c(c1)OCCO2 ZINC000048331691 570297420 /nfs/dbraw/zinc/29/74/20/570297420.db2.gz LLUPUXQFIFTIRL-LBPRGKRZSA-N 0 3 289.400 3.712 50 0 CHAAHN CCCn1ncc(CN2CCC(c3ccccc3)CC2)c1C ZINC000219074576 570309450 /nfs/dbraw/zinc/30/94/50/570309450.db2.gz KOIQSUULOWBMNZ-UHFFFAOYSA-N 0 3 297.446 3.981 50 0 CHAAHN Cc1cccc([C@H]2CCCN2Cc2cccc3c[nH]nc32)n1 ZINC000093453332 570396036 /nfs/dbraw/zinc/39/60/36/570396036.db2.gz ZJRPLMJWLUSZHQ-QGZVFWFLSA-N 0 3 292.386 3.603 50 0 CHAAHN CCCOC[C@@H]1CCN(Cc2cccc(OC(F)F)c2)C1 ZINC000670451880 570400229 /nfs/dbraw/zinc/40/02/29/570400229.db2.gz ZCPBOEMKDUXZJY-CQSZACIVSA-N 0 3 299.361 3.537 50 0 CHAAHN c1ccc(-c2nnc(CN3CCCCCCC3)o2)cc1 ZINC000032652323 570409480 /nfs/dbraw/zinc/40/94/80/570409480.db2.gz CXCHMGFXBAJFKI-UHFFFAOYSA-N 0 3 271.364 3.503 50 0 CHAAHN C[C@@H](NCC(=O)NC1CCCCCCC1)c1ccccc1 ZINC000216154875 1120244656 /nfs/dbraw/zinc/24/46/56/1120244656.db2.gz JKSAHXZWJRUXFO-OAHLLOKOSA-N 0 3 288.435 3.566 50 0 CHAAHN CO[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000509149198 1120674737 /nfs/dbraw/zinc/67/47/37/1120674737.db2.gz CLUYUUIKWWHKGO-SFHVURJKSA-N 0 3 289.419 3.619 50 0 CHAAHN CCCC[C@@H](NCc1nc(-c2ccoc2)no1)C1CCC1 ZINC000184875876 1129259808 /nfs/dbraw/zinc/25/98/08/1129259808.db2.gz SHQWBPQZAZZXFQ-CQSZACIVSA-N 0 3 289.379 3.778 50 0 CHAAHN Cc1cc(C(=O)Nc2ccccc2CN2CCCC2)c(C)o1 ZINC000825303727 1129317402 /nfs/dbraw/zinc/31/74/02/1129317402.db2.gz SWFYIXMQADOBBJ-UHFFFAOYSA-N 0 3 298.386 3.745 50 0 CHAAHN C/C(=C\c1ccccc1)CNCc1cncn1CC(C)C ZINC000952869705 1132014406 /nfs/dbraw/zinc/01/44/06/1132014406.db2.gz NEUXQLZGSDUKPK-CXUHLZMHSA-N 0 3 283.419 3.732 50 0 CHAAHN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H](C)C1 ZINC000106521599 186124288 /nfs/dbraw/zinc/12/42/88/186124288.db2.gz KGAQXFONLOFKIA-HUUCEWRRSA-N 0 3 296.414 3.899 50 0 CHAAHN C[C@@H](CN(C)Cc1ccc2ccccc2n1)c1nccs1 ZINC000183918706 189371145 /nfs/dbraw/zinc/37/11/45/189371145.db2.gz RUJDZAZWTWKNBI-ZDUSSCGKSA-N 0 3 297.427 3.927 50 0 CHAAHN OCCN(Cc1ccccc1)Cc1cccc2ccccc21 ZINC000004695050 170000228 /nfs/dbraw/zinc/00/02/28/170000228.db2.gz RUVIEMAGMBRUPX-UHFFFAOYSA-N 0 3 291.394 3.834 50 0 CHAAHN CCCNCc1cccc(OC)c1OCc1ccccc1 ZINC000004857252 170031805 /nfs/dbraw/zinc/03/18/05/170031805.db2.gz BNQDNORRBDXERA-UHFFFAOYSA-N 0 3 285.387 3.774 50 0 CHAAHN Cc1ccc2c(CN3C[C@H](C)C[C@@H](C)C3)cc(=O)oc2c1C ZINC000005252582 170080126 /nfs/dbraw/zinc/08/01/26/170080126.db2.gz VGENLWPZZMPKNW-CHWSQXEVSA-N 0 3 299.414 3.888 50 0 biogenic CHAAHN Clc1cccc(-c2ccc(CNC[C@H]3CCCO3)o2)c1 ZINC000006697425 170227025 /nfs/dbraw/zinc/22/70/25/170227025.db2.gz HJTPZEDYTAWLQR-CQSZACIVSA-N 0 3 291.778 3.869 50 0 CHAAHN Fc1ccc(COc2ccccc2CNC2CC2)cc1 ZINC000006701616 170229556 /nfs/dbraw/zinc/22/95/56/170229556.db2.gz SPZCMONTTOTIPB-UHFFFAOYSA-N 0 3 271.335 3.657 50 0 CHAAHN CCc1ccc(-c2n[nH]cc2CNCc2cccs2)cc1 ZINC000006750804 170240455 /nfs/dbraw/zinc/24/04/55/170240455.db2.gz VNKHLQIDGUAENO-UHFFFAOYSA-N 0 3 297.427 3.990 50 0 CHAAHN CC[C@@H](C)N[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008344399 170332782 /nfs/dbraw/zinc/33/27/82/170332782.db2.gz MTUFDDWMNDOBEV-RKDXNWHRSA-N 0 3 289.206 3.709 50 0 CHAAHN C[C@@H](CN1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(F)cc1 ZINC000008553296 170340033 /nfs/dbraw/zinc/34/00/33/170340033.db2.gz UWBNPVDYTHSVEP-MJBXVCDLSA-N 0 3 293.382 3.634 50 0 CHAAHN Cc1cccc2c(=O)c(CN3CCCCC3)c(C)[nH]c12 ZINC000008714599 170349011 /nfs/dbraw/zinc/34/90/11/170349011.db2.gz ZHJAXNIPIYQAKJ-UHFFFAOYSA-N 0 3 270.376 3.543 50 0 biogenic CHAAHN Cc1cccc2c(=O)c(CN3CCC(C)CC3)c(C)[nH]c12 ZINC000008911501 170358964 /nfs/dbraw/zinc/35/89/64/170358964.db2.gz AXKXXBJLJGVDET-UHFFFAOYSA-N 0 3 284.403 3.789 50 0 CHAAHN c1[nH]nc(-c2ccccc2)c1CN1CCc2ccccc2C1 ZINC000010003195 170395107 /nfs/dbraw/zinc/39/51/07/170395107.db2.gz WKSSKRDWXMSGDH-UHFFFAOYSA-N 0 3 289.382 3.635 50 0 CHAAHN COc1ccc2c(c1)[C@@H](c1cccc(Cl)c1)NCC2 ZINC000019625843 170831519 /nfs/dbraw/zinc/83/15/19/170831519.db2.gz VTAIVNGVFBIKHG-MRXNPFEDSA-N 0 3 273.763 3.584 50 0 CHAAHN Brc1ccccc1CNC1CCCCC1 ZINC000019879200 170907619 /nfs/dbraw/zinc/90/76/19/170907619.db2.gz SZWYEEAPFMFWMU-UHFFFAOYSA-N 0 3 268.198 3.871 50 0 CHAAHN Oc1cccc(CN[C@@H]2CCCc3ccccc32)c1 ZINC000020133746 171022264 /nfs/dbraw/zinc/02/22/64/171022264.db2.gz JQDFHMUJLQSCBU-QGZVFWFLSA-N 0 3 253.345 3.559 50 0 CHAAHN Cc1ccc(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)o1 ZINC000020781562 171272443 /nfs/dbraw/zinc/27/24/43/171272443.db2.gz VTPNQZRQFKQRMO-GOSISDBHSA-N 0 3 298.430 3.684 50 0 CHAAHN CSc1cccc([C@H](N)c2cc(F)ccc2F)c1 ZINC000071790393 176263134 /nfs/dbraw/zinc/26/31/34/176263134.db2.gz AVGQIDXHXCYGQX-AWEZNQCLSA-N 0 3 265.328 3.735 50 0 CHAAHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc2ccccc2c1 ZINC000078480266 177344884 /nfs/dbraw/zinc/34/48/84/177344884.db2.gz HHXRFUMFLVTJMJ-GOSISDBHSA-N 0 3 298.430 3.546 50 0 CHAAHN COc1ccccc1C[C@H](C)N[C@H](C)c1ncc(C)s1 ZINC000096479082 534116809 /nfs/dbraw/zinc/11/68/09/534116809.db2.gz GCKOMLZPWFBVLY-WCQYABFASA-N 0 3 290.432 3.742 50 0 CHAAHN CNCc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC000054933429 522114361 /nfs/dbraw/zinc/11/43/61/522114361.db2.gz OOAFFPJDTOTJFZ-UHFFFAOYSA-N 0 3 267.250 3.616 50 0 CHAAHN Fc1ccc(CNCc2c[nH]nc2-c2cccs2)cc1 ZINC000012530371 566847547 /nfs/dbraw/zinc/84/75/47/566847547.db2.gz WXXSDBOTYNWIFT-UHFFFAOYSA-N 0 3 287.363 3.567 50 0 CHAAHN CC(C)OP(=O)(OC(C)C)[C@@H](N)Cc1ccccc1 ZINC000035078611 566892309 /nfs/dbraw/zinc/89/23/09/566892309.db2.gz KDKSZCWXFQVNPD-CQSZACIVSA-N 0 3 285.324 3.557 50 0 CHAAHN CC(C)Oc1ccccc1OCCCNCc1ccco1 ZINC000075254031 566937166 /nfs/dbraw/zinc/93/71/66/566937166.db2.gz APPBUHFQKYKTIL-UHFFFAOYSA-N 0 3 289.375 3.626 50 0 CHAAHN CC(C)Oc1ccc(-c2ccc([C@@H](C)N(C)C)cc2)nn1 ZINC000426618352 566990662 /nfs/dbraw/zinc/99/06/62/566990662.db2.gz OOLRMDCSSNSKJS-CYBMUJFWSA-N 0 3 285.391 3.553 50 0 CHAAHN CCc1nc(C)c([C@@H](C)N(C)CCc2ccncc2)s1 ZINC000076040342 567028249 /nfs/dbraw/zinc/02/82/49/567028249.db2.gz SKAPCHBYFMWAEV-CYBMUJFWSA-N 0 3 289.448 3.644 50 0 CHAAHN C[C@H](NCc1ccccc1)c1ccccc1-n1cccn1 ZINC000089909876 567031043 /nfs/dbraw/zinc/03/10/43/567031043.db2.gz DNXKUHVNASKMRM-HNNXBMFYSA-N 0 3 277.371 3.723 50 0 CHAAHN Cc1ccsc1[C@@H](C)NCc1ccc([S@](C)=O)cc1 ZINC000090221399 567033617 /nfs/dbraw/zinc/03/36/17/567033617.db2.gz CADFGZXNISJCCV-CWTRNNRKSA-N 0 3 293.457 3.645 50 0 CHAAHN C[C@H](NCc1ccnc(N)c1)c1ccc2ccccc2c1 ZINC000193472611 567060739 /nfs/dbraw/zinc/06/07/39/567060739.db2.gz WKWLLNQHKCRZKL-ZDUSSCGKSA-N 0 3 277.371 3.668 50 0 CHAAHN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(SC(F)F)cc1 ZINC000095450955 567134836 /nfs/dbraw/zinc/13/48/36/567134836.db2.gz WEYIFIHHUHNDFE-NTZNESFSSA-N 0 3 299.386 3.589 50 0 CHAAHN C[C@H](NC(C)(C)C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000027988417 567145561 /nfs/dbraw/zinc/14/55/61/567145561.db2.gz MIAWBOWAAZHWMV-GVMDUPDNSA-N 0 3 263.425 3.549 50 0 CHAAHN CCCOC[C@H]1CCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000670473274 567196859 /nfs/dbraw/zinc/19/68/59/567196859.db2.gz SRPGJFMCPHPEIW-AWEZNQCLSA-N 0 3 299.361 3.537 50 0 CHAAHN Cc1ccc(CN2CCN(c3ccccc3)CC2)c(C)c1 ZINC000000293918 567824283 /nfs/dbraw/zinc/82/42/83/567824283.db2.gz UQWIMUDTSOPCAD-UHFFFAOYSA-N 0 3 280.415 3.626 50 0 CHAAHN COc1ccc(CN[C@@H]2CCCc3ccccc32)cc1 ZINC000002575534 567848330 /nfs/dbraw/zinc/84/83/30/567848330.db2.gz RQZSKQXLWGINHV-GOSISDBHSA-N 0 3 267.372 3.862 50 0 CHAAHN Clc1ccc(SCCOCCN2CCCCC2)cc1 ZINC000003462293 567852716 /nfs/dbraw/zinc/85/27/16/567852716.db2.gz RSWRBALYBXCPPU-UHFFFAOYSA-N 0 3 299.867 3.935 50 0 CHAAHN C[C@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(F)cc1 ZINC000003904975 567854251 /nfs/dbraw/zinc/85/42/51/567854251.db2.gz UWBNPVDYTHSVEP-MELADBBJSA-N 0 3 293.382 3.634 50 0 CHAAHN C[C@H](CN1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(F)cc1 ZINC000003904974 567854353 /nfs/dbraw/zinc/85/43/53/567854353.db2.gz UWBNPVDYTHSVEP-HZSPNIEDSA-N 0 3 293.382 3.634 50 0 CHAAHN Cc1cc(C)c(NC(=O)OC[C@H]2CCCCN2C)c(C)c1 ZINC000004566640 567858031 /nfs/dbraw/zinc/85/80/31/567858031.db2.gz QRGQQZCHPZTODT-OAHLLOKOSA-N 0 3 290.407 3.645 50 0 CHAAHN C[C@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(F)c2)o1 ZINC000097377474 567860386 /nfs/dbraw/zinc/86/03/86/567860386.db2.gz DUBTYBVPTYPING-FZMZJTMJSA-N 0 3 289.354 3.544 50 0 CHAAHN COc1cccc(CNC(C)C)c1OCc1ccccc1 ZINC000010435750 567861260 /nfs/dbraw/zinc/86/12/60/567861260.db2.gz ZRZOGSDWIOVJAZ-UHFFFAOYSA-N 0 3 285.387 3.772 50 0 CHAAHN O=C(Nc1cccc(F)c1)c1ccc(CN2CCCC2)cc1 ZINC000010337972 567861508 /nfs/dbraw/zinc/86/15/08/567861508.db2.gz QOHBBKUYTNTYGF-UHFFFAOYSA-N 0 3 298.361 3.674 50 0 CHAAHN CNCc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000010474699 567861738 /nfs/dbraw/zinc/86/17/38/567861738.db2.gz NOXZKBKBXQZJKU-UHFFFAOYSA-N 0 3 291.778 3.647 50 0 CHAAHN Cc1ccc(Sc2ccccc2CN(C)C)c(N)c1 ZINC000012957760 567864483 /nfs/dbraw/zinc/86/44/83/567864483.db2.gz UABIXNSHHIMZEP-UHFFFAOYSA-N 0 3 272.417 3.790 50 0 in-vitro CHAAHN Cc1ccc(NC(=O)CNC2CCCCC2)cc1Cl ZINC000013154318 567865218 /nfs/dbraw/zinc/86/52/18/567865218.db2.gz GBWTYBWEKQQWOB-UHFFFAOYSA-N 0 3 280.799 3.509 50 0 CHAAHN CCC(CC)NCc1ccccc1Br ZINC000019884083 567879810 /nfs/dbraw/zinc/87/98/10/567879810.db2.gz YSEVQKZKXDUWBV-UHFFFAOYSA-N 0 3 256.187 3.727 50 0 CHAAHN Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 ZINC000034051848 567887103 /nfs/dbraw/zinc/88/71/03/567887103.db2.gz YQNWZWMKLDQSAC-UHFFFAOYSA-N 0 3 298.455 3.864 50 0 fda CHAAHN CN(C)Cc1ccccc1Sc1cccc(O)c1 ZINC000000004378 567891021 /nfs/dbraw/zinc/89/10/21/567891021.db2.gz KKMSQPXDZXJMFX-UHFFFAOYSA-N 0 3 259.374 3.605 50 0 CHAAHN O[C@H](CNCc1ccccc1)c1ccccc1C(F)(F)F ZINC000048555432 567892823 /nfs/dbraw/zinc/89/28/23/567892823.db2.gz AEWYIHDASOFNPG-OAHLLOKOSA-N 0 3 295.304 3.529 50 0 CHAAHN Cc1cccc([C@H](C)NCc2ccc(C3OCCO3)cc2)c1 ZINC000096477583 567897590 /nfs/dbraw/zinc/89/75/90/567897590.db2.gz ANROPBYYWSNQDY-HNNXBMFYSA-N 0 3 297.398 3.891 50 0 CHAAHN CC[C@@H](C)NCc1cccnc1N(C)Cc1ccccc1 ZINC000067642420 567900213 /nfs/dbraw/zinc/90/02/13/567900213.db2.gz LIYHYXPWDJLJHT-OAHLLOKOSA-N 0 3 283.419 3.606 50 0 CHAAHN O=C1c2ccccc2[N+]([O-])=C1c1cccc2ccccc21 ZINC000071784641 567902303 /nfs/dbraw/zinc/90/23/03/567902303.db2.gz YUGFNYUDLAYMRK-UHFFFAOYSA-N 0 3 273.291 3.667 50 0 CHAAHN O=[N+]1c2ccccc2C([O-])=C1c1cccc2ccccc21 ZINC000071784641 567902304 /nfs/dbraw/zinc/90/23/04/567902304.db2.gz YUGFNYUDLAYMRK-UHFFFAOYSA-N 0 3 273.291 3.667 50 0 CHAAHN COC[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000056908399 567905949 /nfs/dbraw/zinc/90/59/49/567905949.db2.gz LMGCIQCANFXRPV-CYBMUJFWSA-N 0 3 287.325 3.564 50 0 CHAAHN C[C@@H](c1ccc(-c2n[nH]c(C3CCCC3)n2)cc1)N(C)C ZINC000096151448 567909877 /nfs/dbraw/zinc/90/98/77/567909877.db2.gz LLIRQLJXMZRWTH-LBPRGKRZSA-N 0 3 284.407 3.752 50 0 CHAAHN CC(C)Nc1ccc(-c2ccc([C@@H](C)N(C)C)cc2)nn1 ZINC000097759281 567911411 /nfs/dbraw/zinc/91/14/11/567911411.db2.gz YYIGLTOVJLEUCV-CYBMUJFWSA-N 0 3 284.407 3.587 50 0 CHAAHN C[C@@H](CCNC1c2ccccc2-c2ccccc21)[S@](C)=O ZINC000166253982 567927228 /nfs/dbraw/zinc/92/72/28/567927228.db2.gz NFCZDHZGDPELJN-YEJXKQKISA-N 0 3 299.439 3.503 50 0 CHAAHN COc1cc(CN[C@@H]2CCCc3ccccc32)cc(OC)c1 ZINC000000263775 567935689 /nfs/dbraw/zinc/93/56/89/567935689.db2.gz ZIECMJLJJMFKOW-LJQANCHMSA-N 0 3 297.398 3.871 50 0 CHAAHN COc1ccc2[nH]c3c(c2c1)CCN1C[C@@H]2CCCC[C@@H]2[C@@H]31 ZINC000000518993 567941945 /nfs/dbraw/zinc/94/19/45/567941945.db2.gz HKCFIODYAGNXJQ-PJFSTRORSA-N 0 3 296.414 3.896 50 0 biogenic CHAAHN c1ccc([C@H](Cc2ccccn2)NC[C@H]2CCC=CO2)cc1 ZINC000225585898 567954137 /nfs/dbraw/zinc/95/41/37/567954137.db2.gz HCSYVPMFZHCBQS-MOPGFXCFSA-N 0 3 294.398 3.648 50 0 CHAAHN N#CC1C=Cc2ccccc2N1C(=O)/C=C/c1ccccc1 ZINC000000007879 570319086 /nfs/dbraw/zinc/31/90/86/570319086.db2.gz LEQAQLPUUAHOIR-JIIJFUIFSA-N 0 3 286.334 3.652 50 0 CHAAHN C[C@H](c1nc2ccccc2n1C)N1CCCCCC1 ZINC000082086975 570325100 /nfs/dbraw/zinc/32/51/00/570325100.db2.gz CUKAMMGSYPIKMI-CYBMUJFWSA-N 0 3 257.381 3.510 50 0 CHAAHN Cc1ccccc1C[C@@H](NCC1=CCCOC1)c1ccco1 ZINC000863983301 1128718339 /nfs/dbraw/zinc/71/83/39/1128718339.db2.gz FNZGWDKCLASMFV-GOSISDBHSA-N 0 3 297.398 3.808 50 0 CHAAHN C[C@@H](N[C@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)F)nc1 ZINC000658024533 1130675762 /nfs/dbraw/zinc/67/57/62/1130675762.db2.gz YKXVFDCFNRSLQF-NXEZZACHSA-N 0 3 293.317 3.532 50 0 CHAAHN O=C(Nc1ccccc1CN1CCCC1)c1ccc(F)cc1 ZINC000041970241 1131653549 /nfs/dbraw/zinc/65/35/49/1131653549.db2.gz OPSBRAUXYUMWRZ-UHFFFAOYSA-N 0 3 298.361 3.674 50 0 CHAAHN Cc1cncc(CN2CCC(OCc3ccccc3)CC2)c1 ZINC000189752591 230396115 /nfs/dbraw/zinc/39/61/15/230396115.db2.gz VGVWZKARZNEHBF-UHFFFAOYSA-N 0 3 296.414 3.571 50 0 CHAAHN CC[C@@H](NCCn1cc(C)cn1)c1cccc(Cl)c1 ZINC000089947855 179889924 /nfs/dbraw/zinc/88/99/24/179889924.db2.gz RKOQBXYGPHTPSD-OAHLLOKOSA-N 0 3 277.799 3.586 50 0 CHAAHN C[C@H](NCCc1nnc(-c2ccccc2)o1)c1cccs1 ZINC000090659785 180018902 /nfs/dbraw/zinc/01/89/02/180018902.db2.gz XWOHDSHRTXEVPC-LBPRGKRZSA-N 0 3 299.399 3.691 50 0 CHAAHN C[C@@H]1CN(Cc2cc3ccccc3o2)CC[C@@]1(O)C1CCC1 ZINC000091445132 180156441 /nfs/dbraw/zinc/15/64/41/180156441.db2.gz LONZMPVVKIOFEZ-KUHUBIRLSA-N 0 3 299.414 3.806 50 0 CHAAHN Cc1cnc(CNc2cccc3c2CN([C@@H](C)C(C)C)C3)o1 ZINC000178007315 189085190 /nfs/dbraw/zinc/08/51/90/189085190.db2.gz FJQWHMSMOAXZTR-AWEZNQCLSA-N 0 3 299.418 3.955 50 0 CHAAHN Cc1ccc(C(C)C)c(OCCNCc2cccnc2)c1 ZINC000002845109 533639143 /nfs/dbraw/zinc/63/91/43/533639143.db2.gz DUMYCDKTACRPQT-UHFFFAOYSA-N 0 3 284.403 3.682 50 0 CHAAHN CN(C)CCC(=O)c1ccc2oc3ccccc3c2c1 ZINC000004798287 170018924 /nfs/dbraw/zinc/01/89/24/170018924.db2.gz UFFSNMKPZVTCDK-UHFFFAOYSA-N 0 3 267.328 3.720 50 0 CHAAHN Cc1cc(CN2CCCCC2)cc(C(C)(C)C)c1O ZINC000005043208 170059451 /nfs/dbraw/zinc/05/94/51/170059451.db2.gz NMIAUBDGCYDHPZ-UHFFFAOYSA-N 0 3 261.409 3.984 50 0 CHAAHN CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000005719742 170132697 /nfs/dbraw/zinc/13/26/97/170132697.db2.gz GWFPZNWTHIITBJ-IAGOWNOFSA-N 0 3 299.801 3.868 50 0 CHAAHN CCOCCCNCc1cc(Cl)cc(Cl)c1OC ZINC000006536768 170211222 /nfs/dbraw/zinc/21/12/22/170211222.db2.gz GVJMKTMUFZLCIQ-UHFFFAOYSA-N 0 3 292.206 3.518 50 0 CHAAHN CCNCc1cccc(OC)c1OCc1ccccc1F ZINC000006697175 170226734 /nfs/dbraw/zinc/22/67/34/170226734.db2.gz LBHBIAJHLSGEQI-UHFFFAOYSA-N 0 3 289.350 3.523 50 0 CHAAHN CCOc1cccc(CNC2CC2)c1OCc1ccccc1 ZINC000006729458 170234788 /nfs/dbraw/zinc/23/47/88/170234788.db2.gz ADTBFVIFOHKAIO-UHFFFAOYSA-N 0 3 297.398 3.916 50 0 CHAAHN CC[C@@H](C)N[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006788125 170243808 /nfs/dbraw/zinc/24/38/08/170243808.db2.gz CILWEQVQHBKYMA-RKDXNWHRSA-N 0 3 289.206 3.709 50 0 CHAAHN N=C(N)Nc1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000018054087 170741075 /nfs/dbraw/zinc/74/10/75/170741075.db2.gz BOGIJBDMOQJRFY-SDNWHVSQSA-N 0 3 261.328 3.559 50 0 CHAAHN CC[C@H](NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000020124414 171006439 /nfs/dbraw/zinc/00/64/39/171006439.db2.gz OQCRGGAWRHBOSL-HNNXBMFYSA-N 0 3 287.334 3.795 50 0 CHAAHN CC(C)=CCC[C@H](C)C[C@@H]1OC[C@@H](CN2CCCCC2)O1 ZINC000020130672 171019355 /nfs/dbraw/zinc/01/93/55/171019355.db2.gz BABQJPAGASLVKB-RCCFBDPRSA-N 0 3 295.467 3.986 50 0 CHAAHN CC(C)[C@H](CCN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000020573392 171256121 /nfs/dbraw/zinc/25/61/21/171256121.db2.gz HOSQHUKNCZIYJP-KRWDZBQOSA-N 0 3 294.870 3.717 50 0 CHAAHN CN1CCC[C@H](CSc2nnc(C3CCCCC3)o2)C1 ZINC000071886128 176289923 /nfs/dbraw/zinc/28/99/23/176289923.db2.gz MUDHWSTUTDHBPA-LBPRGKRZSA-N 0 3 295.452 3.551 50 0 CHAAHN Cc1cccc(-c2cc(NCCN(C)C)nc3[nH]ccc32)c1 ZINC000072138798 176322795 /nfs/dbraw/zinc/32/27/95/176322795.db2.gz YPXOVLUCTHNKFA-UHFFFAOYSA-N 0 3 294.402 3.512 50 0 CHAAHN CC[C@@H]1CN(Cc2ccccc2SC)CCN1C(C)C ZINC000072156563 176328491 /nfs/dbraw/zinc/32/84/91/176328491.db2.gz HFJMLHHOZRHOSX-MRXNPFEDSA-N 0 3 292.492 3.713 50 0 CHAAHN C[C@H](CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C)NCc1ccco1 ZINC000072334038 176370360 /nfs/dbraw/zinc/37/03/60/176370360.db2.gz HECRTIIJPYRXOR-JJRVBVJISA-N 0 3 289.419 3.955 50 0 CHAAHN Cc1ccccc1[C@H]1CCCN(Cc2ccccn2)C1 ZINC000072412050 176398972 /nfs/dbraw/zinc/39/89/72/176398972.db2.gz LXDYKMKGIZDHFK-INIZCTEOSA-N 0 3 266.388 3.770 50 0 CHAAHN Cc1nc[nH]c1CN1CCCC[C@H]1CCc1cccs1 ZINC000077356830 177257043 /nfs/dbraw/zinc/25/70/43/177257043.db2.gz URFUKCXCUPOHGE-AWEZNQCLSA-N 0 3 289.448 3.767 50 0 CHAAHN CCn1ccc(CN[C@H](C)CC(C)(C)c2ccccc2)n1 ZINC000414214441 262826264 /nfs/dbraw/zinc/82/62/64/262826264.db2.gz WFKUQSYKGDPTCB-OAHLLOKOSA-N 0 3 285.435 3.749 50 0 CHAAHN CN(Cc1cc(F)cc(Br)c1)C1CCC1 ZINC000135648839 334135180 /nfs/dbraw/zinc/13/51/80/334135180.db2.gz PRFPTKALSXDLLS-UHFFFAOYSA-N 0 3 272.161 3.573 50 0 CHAAHN Cc1ccc(OCCOCCN2CCCCC2)c(Cl)c1 ZINC000016666981 525425613 /nfs/dbraw/zinc/42/56/13/525425613.db2.gz DNNSQTVANAZWFJ-UHFFFAOYSA-N 0 3 297.826 3.530 50 0 CHAAHN CSc1ccc(CN[C@H](C)[C@H](O)c2ccccc2)cc1 ZINC000019872150 526007080 /nfs/dbraw/zinc/00/70/80/526007080.db2.gz IAOBRCUYXDCAQZ-DYVFJYSZSA-N 0 3 287.428 3.620 50 0 CHAAHN CC(C)CNCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008314111 528065188 /nfs/dbraw/zinc/06/51/88/528065188.db2.gz LMCTUBBFJVOQTN-UHFFFAOYSA-N 0 3 298.386 3.663 50 0 CHAAHN NCc1c(-c2ccc(Cl)cc2Cl)nc2ccccn21 ZINC000031975508 566858332 /nfs/dbraw/zinc/85/83/32/566858332.db2.gz AFFAHWOICGPNQJ-UHFFFAOYSA-N 0 3 292.169 3.767 50 0 CHAAHN CCN(CC)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000082609089 566919163 /nfs/dbraw/zinc/91/91/63/566919163.db2.gz LBFZKTNUEFENLG-HNNXBMFYSA-N 0 3 292.423 3.594 50 0 CHAAHN Cc1ncsc1CCNC(C)(C)c1nc(C)c(C)s1 ZINC000089558829 566984413 /nfs/dbraw/zinc/98/44/13/566984413.db2.gz FIZVGJCYQWZHKJ-UHFFFAOYSA-N 0 3 295.477 3.592 50 0 CHAAHN c1cc2cc(-c3ccc(CN4CCCC4)cn3)ccc2[nH]1 ZINC000426612855 566990334 /nfs/dbraw/zinc/99/03/34/566990334.db2.gz OEJNSVFSZHAPBJ-UHFFFAOYSA-N 0 3 277.371 3.826 50 0 CHAAHN CCC[C@@H](O)CN(CCC(C)C)Cc1ccc(C)o1 ZINC000036098048 566993226 /nfs/dbraw/zinc/99/32/26/566993226.db2.gz LCZHIGUDUPBNBM-OAHLLOKOSA-N 0 3 267.413 3.597 50 0 CHAAHN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(C)cc1 ZINC000036101757 566993320 /nfs/dbraw/zinc/99/33/20/566993320.db2.gz FEVSLFPCNNRKPG-LJQANCHMSA-N 0 3 283.415 3.768 50 0 CHAAHN C([C@@H]1CO[C@]2(CC[C@@H]3CCCC[C@H]3C2)O1)N1CCCCC1 ZINC000239432990 567010454 /nfs/dbraw/zinc/01/04/54/567010454.db2.gz XBGMCAWJVPHBRD-WNRNVDISSA-N 0 3 293.451 3.574 50 0 CHAAHN CSc1ccc(CN[C@H](C)c2c(C)nn(C)c2C)cc1 ZINC000253422973 567097998 /nfs/dbraw/zinc/09/79/98/567097998.db2.gz ODKUFFQXYZSGOI-LLVKDONJSA-N 0 3 289.448 3.610 50 0 CHAAHN CCc1nc(CCN[C@@H](C)c2ccco2)sc1C ZINC000095421590 567132006 /nfs/dbraw/zinc/13/20/06/567132006.db2.gz KBIAOIXZYQUTMX-JTQLQIEISA-N 0 3 264.394 3.500 50 0 CHAAHN OCCCCCN1CCC(c2ccccc2Cl)CC1 ZINC000096026581 567138373 /nfs/dbraw/zinc/13/83/73/567138373.db2.gz GRMYIFYCLIBCTG-UHFFFAOYSA-N 0 3 281.827 3.682 50 0 CHAAHN c1ccc(O[C@H]2CCCN[C@@H]2c2ccccc2)cc1 ZINC000096027213 567138380 /nfs/dbraw/zinc/13/83/80/567138380.db2.gz NMSLARHWBMBDOA-DLBZAZTESA-N 0 3 253.345 3.559 50 0 CHAAHN CO[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)cc2)C1 ZINC000670435521 567168045 /nfs/dbraw/zinc/16/80/45/567168045.db2.gz HAAUCIGMMKOGKI-LJQANCHMSA-N 0 3 296.414 3.675 50 0 CHAAHN c1ncc(CN2CCC3(CCc4ccccc43)CC2)s1 ZINC000670471857 567195283 /nfs/dbraw/zinc/19/52/83/567195283.db2.gz ANEXZSMGNRYLPI-UHFFFAOYSA-N 0 3 284.428 3.623 50 0 CHAAHN CCCOC[C@@H]1CCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000670473275 567196728 /nfs/dbraw/zinc/19/67/28/567196728.db2.gz SRPGJFMCPHPEIW-CQSZACIVSA-N 0 3 299.361 3.537 50 0 CHAAHN Cc1ccccc1[C@H](OCCN(C)C)c1ccccc1 ZINC000000000565 567816505 /nfs/dbraw/zinc/81/65/05/567816505.db2.gz QVYRGXJJSLMXQH-GOSISDBHSA-N 0 3 269.388 3.663 50 0 fda CHAAHN COc1cccc(CN[C@@H]2CCCc3ccccc32)c1OC ZINC000000228075 567822514 /nfs/dbraw/zinc/82/25/14/567822514.db2.gz BVXPLFANJOANFL-QGZVFWFLSA-N 0 3 297.398 3.871 50 0 CHAAHN Fc1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000004657561 567858812 /nfs/dbraw/zinc/85/88/12/567858812.db2.gz GAVZNUSBNNCFFC-UHFFFAOYSA-N 0 3 294.167 3.878 50 0 CHAAHN c1ccc(-c2nnc(CNC3CCCCCC3)o2)cc1 ZINC000012374334 567862984 /nfs/dbraw/zinc/86/29/84/567862984.db2.gz MIXBVMRRUVNAMU-UHFFFAOYSA-N 0 3 271.364 3.549 50 0 CHAAHN Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N ZINC000042288994 567891192 /nfs/dbraw/zinc/89/11/92/567891192.db2.gz AJBZVMQIODFKQN-SSDOTTSWSA-N 0 3 297.221 3.901 50 0 CHAAHN Clc1ccc(CCNCc2cccnc2)c(Cl)c1 ZINC000013281346 567865585 /nfs/dbraw/zinc/86/55/85/567865585.db2.gz AOGYSXRTTSZVQB-UHFFFAOYSA-N 0 3 281.186 3.721 50 0 CHAAHN C[C@H]1C[C@H](C)CN(Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000016695546 567873622 /nfs/dbraw/zinc/87/36/22/567873622.db2.gz FWNWUVHKTALMLV-RYUDHWBXSA-N 0 3 295.810 3.684 50 0 CHAAHN CC[C@H](C)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019889525 567879785 /nfs/dbraw/zinc/87/97/85/567879785.db2.gz KFQCJYMXNGJCIP-INIZCTEOSA-N 0 3 282.431 3.756 50 0 CHAAHN CC[C@H](C)N[C@@H](C)c1ccccc1Br ZINC000019882214 567879792 /nfs/dbraw/zinc/87/97/92/567879792.db2.gz ROSKTXKLTYIKJN-UWVGGRQHSA-N 0 3 256.187 3.898 50 0 CHAAHN CCOc1ccc([C@@H](N)c2cccc(Cl)c2)cc1 ZINC000019967420 567880507 /nfs/dbraw/zinc/88/05/07/567880507.db2.gz JNZWYHLQVPTSOU-OAHLLOKOSA-N 0 3 261.752 3.787 50 0 CHAAHN C[C@H]1CC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000023280490 567881756 /nfs/dbraw/zinc/88/17/56/567881756.db2.gz MUKACTBNOKAZQD-XJKSGUPXSA-N 0 3 278.827 3.651 50 0 CHAAHN c1ccc(CN2CCCC[C@H]2c2cccnc2)cc1 ZINC000000486026 567887625 /nfs/dbraw/zinc/88/76/25/567887625.db2.gz CZSIMASWFULERI-KRWDZBQOSA-N 0 3 252.361 3.809 50 0 biogenic CHAAHN C[C@@H](CN1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000000757443 567887737 /nfs/dbraw/zinc/88/77/37/567887737.db2.gz CPVJFTNVBNYKLO-INIZCTEOSA-N 0 3 298.405 3.751 50 0 CHAAHN O[C@@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000023280075 567887972 /nfs/dbraw/zinc/88/79/72/567887972.db2.gz CLTYSGARAHLXKA-CQSZACIVSA-N 0 3 291.778 3.557 50 0 CHAAHN COc1ccc(CN(C)Cc2ccccc2)c(C)c1C ZINC000004988864 567888418 /nfs/dbraw/zinc/88/84/18/567888418.db2.gz BTXMHMKUMLIROM-UHFFFAOYSA-N 0 3 269.388 3.944 50 0 CHAAHN CC[C@H](C)[C@H](C)NCc1ccccc1Br ZINC000042419225 567891769 /nfs/dbraw/zinc/89/17/69/567891769.db2.gz WDTWUBOMMXEIHP-QWRGUYRKSA-N 0 3 270.214 3.973 50 0 CHAAHN CC(C)[C@H](C)N(Cc1ccco1)Cc1cccnc1 ZINC000055224941 567894229 /nfs/dbraw/zinc/89/42/29/567894229.db2.gz KNKRSDHBHHZXPF-AWEZNQCLSA-N 0 3 258.365 3.721 50 0 CHAAHN Cc1cc([C@H]2CCCN2Cc2sccc2C)on1 ZINC000064666875 567897821 /nfs/dbraw/zinc/89/78/21/567897821.db2.gz KXQBJZGNTUPSGW-GFCCVEGCSA-N 0 3 262.378 3.690 50 0 CHAAHN C[C@@H](c1ccc(-c2cnc3ccccc3n2)cc1)N(C)C ZINC000065406192 567899147 /nfs/dbraw/zinc/89/91/47/567899147.db2.gz JWUCVQIGGJUVOO-ZDUSSCGKSA-N 0 3 277.371 3.919 50 0 CHAAHN Cc1ccc2[nH]c(CN[C@@H](C)Cc3cccs3)nc2c1C ZINC000067920150 567900945 /nfs/dbraw/zinc/90/09/45/567900945.db2.gz VJDBMFQARLWHFS-LBPRGKRZSA-N 0 3 299.443 3.962 50 0 CHAAHN Cc1ccc2nc(CN[C@@H](C)Cc3cccs3)[nH]c2c1C ZINC000067920150 567900947 /nfs/dbraw/zinc/90/09/47/567900947.db2.gz VJDBMFQARLWHFS-LBPRGKRZSA-N 0 3 299.443 3.962 50 0 CHAAHN COc1ccc(C)cc1-c1ccc(CN2CCCC2)cn1 ZINC000097679767 567911024 /nfs/dbraw/zinc/91/10/24/567911024.db2.gz NEVFWXCUIWBRJK-UHFFFAOYSA-N 0 3 282.387 3.661 50 0 CHAAHN C[C@H](CCNC1c2ccccc2-c2ccccc21)[S@@](C)=O ZINC000166254323 567927365 /nfs/dbraw/zinc/92/73/65/567927365.db2.gz NFCZDHZGDPELJN-ASSNKEHSSA-N 0 3 299.439 3.503 50 0 CHAAHN Cc1noc(C)c1CN[C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000248259766 567928952 /nfs/dbraw/zinc/92/89/52/567928952.db2.gz QANRNMUWCPZKAL-RLCCDNCMSA-N 0 3 270.376 3.573 50 0 CHAAHN CCc1nccc(CN2CCC[C@H](c3ccccc3)CC2)n1 ZINC000216389333 567947492 /nfs/dbraw/zinc/94/74/92/567947492.db2.gz HDXRHIBMXGZNRA-KRWDZBQOSA-N 0 3 295.430 3.809 50 0 CHAAHN Oc1cccc(CN2CCCC[C@@H]2CCc2ccccn2)c1 ZINC000216181032 567947547 /nfs/dbraw/zinc/94/75/47/567947547.db2.gz ONEYDGPWAGJMIR-GOSISDBHSA-N 0 3 296.414 3.775 50 0 CHAAHN CCc1nccc(CN2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000216389391 567947729 /nfs/dbraw/zinc/94/77/29/567947729.db2.gz HDXRHIBMXGZNRA-QGZVFWFLSA-N 0 3 295.430 3.809 50 0 CHAAHN CCC[C@@H](O)CNCc1ccc(-c2cccc(F)c2C)o1 ZINC000225392781 567953266 /nfs/dbraw/zinc/95/32/66/567953266.db2.gz KLBYEFQGHMBIJS-CYBMUJFWSA-N 0 3 291.366 3.645 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CN[C@@H]2CCO[C@H]2C)o1 ZINC000225526753 567953908 /nfs/dbraw/zinc/95/39/08/567953908.db2.gz LMKYQIPQPORYNZ-BLLLJJGKSA-N 0 3 289.350 3.661 50 0 CHAAHN CC(C)(CO)[C@@H](NCc1cccs1)c1ccccc1 ZINC000225636666 567954243 /nfs/dbraw/zinc/95/42/43/567954243.db2.gz QPAFHUKNSBRVDX-HNNXBMFYSA-N 0 3 275.417 3.598 50 0 CHAAHN CCC[C@@H](C)NCc1cnc(-c2cccc(C)c2)nc1 ZINC000055358257 570242820 /nfs/dbraw/zinc/24/28/20/570242820.db2.gz FRYUICRXKXBPIP-CQSZACIVSA-N 0 3 269.392 3.730 50 0 CHAAHN COC[C@@H]1CCN(Cc2[nH]c3ccc(Cl)cc3c2C)C1 ZINC000215423832 570302771 /nfs/dbraw/zinc/30/27/71/570302771.db2.gz INGUVOILEFOGRI-GFCCVEGCSA-N 0 3 292.810 3.598 50 0 CHAAHN Cc1ccc([C@H](C)N[C@@H](C)C[C@@H](O)c2cccs2)o1 ZINC000221691554 570311488 /nfs/dbraw/zinc/31/14/88/570311488.db2.gz JHFUIFVJLHGYIY-WCFLWFBJSA-N 0 3 279.405 3.812 50 0 CHAAHN Cc1ncccc1CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000334435028 570328087 /nfs/dbraw/zinc/32/80/87/570328087.db2.gz YUPCQDFNDOALNZ-GFCCVEGCSA-N 0 3 272.314 3.553 50 0 CHAAHN CC[C@H](C)N1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000005686599 570380124 /nfs/dbraw/zinc/38/01/24/570380124.db2.gz SFUWCNMJJPKLAD-HOTGVXAUSA-N 0 3 288.435 3.813 50 0 CHAAHN CCCN(CCc1ccccc1)Cc1cc(C(C)=O)cn1C ZINC000952979916 614583433 /nfs/dbraw/zinc/58/34/33/614583433.db2.gz BCSUBOIYGBGMDJ-UHFFFAOYSA-N 0 3 298.430 3.682 50 0 CHAAHN CNc1ccccc1CNC(C)(C)c1ccccc1 ZINC000585137128 1120532455 /nfs/dbraw/zinc/53/24/55/1120532455.db2.gz JQQJRXZAZMRCLL-UHFFFAOYSA-N 0 3 254.377 3.753 50 0 CHAAHN Cc1ccc(OCCCN(C)Cc2ncccc2C)c(C)c1 ZINC000244673984 1121470071 /nfs/dbraw/zinc/47/00/71/1121470071.db2.gz HZGCVXCFCKLVNX-UHFFFAOYSA-N 0 3 298.430 3.908 50 0 CHAAHN Cc1cccc2c1ncc(C)c2N1CC[C@]2(C1)CCCOC2 ZINC000585082611 1131269130 /nfs/dbraw/zinc/26/91/30/1131269130.db2.gz QLDWXFKBLGQVFG-IBGZPJMESA-N 0 3 296.414 3.859 50 0 CHAAHN C[C@@H](C(=O)Nc1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000229720035 1125306465 /nfs/dbraw/zinc/30/64/65/1125306465.db2.gz HULAMQHRSAXYQB-DOTOQJQBSA-N 0 3 294.398 3.503 50 0 CHAAHN Clc1ccccc1CN[C@@H]1CCN(c2ccccc2)C1 ZINC000114909377 1129841156 /nfs/dbraw/zinc/84/11/56/1129841156.db2.gz QPTVIKKHXRUDKR-OAHLLOKOSA-N 0 3 286.806 3.709 50 0 CHAAHN Cc1cccc(C)c1NC(=O)CN(C)C1CCCCC1 ZINC000007786528 230370138 /nfs/dbraw/zinc/37/01/38/230370138.db2.gz QSJZFXCGXPWODI-UHFFFAOYSA-N 0 3 274.408 3.506 50 0 CHAAHN CN(C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000095918034 185031260 /nfs/dbraw/zinc/03/12/60/185031260.db2.gz HQGXTZKYVCVNDU-UHFFFAOYSA-N 0 3 264.372 3.751 50 0 CHAAHN CCCOc1ccc(CNc2cc(CN(C)C)ccn2)cc1 ZINC000095972337 185049429 /nfs/dbraw/zinc/04/94/29/185049429.db2.gz WQJBSTKFKSWGCJ-UHFFFAOYSA-N 0 3 299.418 3.544 50 0 CHAAHN CC1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000000182015 134521633 /nfs/dbraw/zinc/52/16/33/134521633.db2.gz VHVRDVRPYVILBG-UHFFFAOYSA-N 0 3 276.399 3.526 50 0 CHAAHN COc1ccc(-c2cc(CN3CCC[C@H](C)C3)on2)cc1 ZINC000004776603 170015435 /nfs/dbraw/zinc/01/54/35/170015435.db2.gz CFGZHDKSMHPDJF-ZDUSSCGKSA-N 0 3 286.375 3.582 50 0 CHAAHN CCc1nn(CC)c2cccc3c(OC)ccc1c32 ZINC000004828901 170024980 /nfs/dbraw/zinc/02/49/80/170024980.db2.gz HGZGVIMJNNLGTL-UHFFFAOYSA-N 0 3 254.333 3.780 50 0 CHAAHN Cc1cc(Br)ccc1OCCN1CCCCC1 ZINC000004845274 170029664 /nfs/dbraw/zinc/02/96/64/170029664.db2.gz DZCSTVJISZHBOP-UHFFFAOYSA-N 0 3 298.224 3.622 50 0 CHAAHN CCOC(=O)[C@H]1CCCN(Cc2ccc3ccccc3c2)C1 ZINC000004977475 170047946 /nfs/dbraw/zinc/04/79/46/170047946.db2.gz ZFCMHXQDHOCIMW-SFHVURJKSA-N 0 3 297.398 3.615 50 0 CHAAHN CCOc1ccc2ccccc2c1CNC[C@@H]1CCCO1 ZINC000005019257 170056689 /nfs/dbraw/zinc/05/66/89/170056689.db2.gz DBCSHZOYTICMCR-HNNXBMFYSA-N 0 3 285.387 3.507 50 0 CHAAHN COc1ccc(OC)c(CN[C@@H]2CCCc3ccccc32)c1 ZINC000005720314 170132824 /nfs/dbraw/zinc/13/28/24/170132824.db2.gz XCBDQSXGQDEWGH-GOSISDBHSA-N 0 3 297.398 3.871 50 0 CHAAHN C[C@@H]1C[C@H](C)CN(CC(=O)Nc2cccc3ccccc32)C1 ZINC000006730760 170235087 /nfs/dbraw/zinc/23/50/87/170235087.db2.gz JYCLAIHWADDGSC-GASCZTMLSA-N 0 3 296.414 3.756 50 0 CHAAHN Cc1ccc2[nH]c(C)c(CN3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008700835 170346741 /nfs/dbraw/zinc/34/67/41/170346741.db2.gz FCERUZDINCMNOW-ZDUSSCGKSA-N 0 3 284.403 3.932 50 0 CHAAHN CCc1ccc2[nH]c(C)c(CN(CC)CC)c(=O)c2c1 ZINC000008714140 170348419 /nfs/dbraw/zinc/34/84/19/170348419.db2.gz YJCBOLNQTLYHTO-UHFFFAOYSA-N 0 3 272.392 3.653 50 0 CHAAHN Cc1cccc2c(=O)c(CN3CCC[C@H](C)C3)c(C)[nH]c12 ZINC000008911507 170358992 /nfs/dbraw/zinc/35/89/92/170358992.db2.gz TXRBYAROTFFCQP-LBPRGKRZSA-N 0 3 284.403 3.789 50 0 CHAAHN Cc1noc(C)c1[C@H]1CCCN1Cc1ccccc1 ZINC000021720721 171320808 /nfs/dbraw/zinc/32/08/08/171320808.db2.gz SYBOPPSFGISSKD-OAHLLOKOSA-N 0 3 256.349 3.629 50 0 CHAAHN CCC(C)(C)NCC(=O)Nc1ccccc1C(C)C ZINC000040461022 174270456 /nfs/dbraw/zinc/27/04/56/174270456.db2.gz UBGJKDUSHZJVLA-UHFFFAOYSA-N 0 3 262.397 3.527 50 0 CHAAHN Cc1noc(C)c1CN[C@H](C)CC1CCCCC1 ZINC000071278892 176108329 /nfs/dbraw/zinc/10/83/29/176108329.db2.gz CKRINNAVOALMDM-LLVKDONJSA-N 0 3 250.386 3.740 50 0 CHAAHN CSc1cccc([C@@H](N)c2ccc(F)cc2F)c1 ZINC000071790725 176262808 /nfs/dbraw/zinc/26/28/08/176262808.db2.gz KOFHSJIHJGOATP-CQSZACIVSA-N 0 3 265.328 3.735 50 0 CHAAHN CC(C)(C)OCc1cccc(CNCc2cccnc2)c1 ZINC000071854226 176277954 /nfs/dbraw/zinc/27/79/54/176277954.db2.gz XTPYUSHHEOHLFO-UHFFFAOYSA-N 0 3 284.403 3.687 50 0 CHAAHN C[C@H](CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C)NCc1ccco1 ZINC000072334035 176370352 /nfs/dbraw/zinc/37/03/52/176370352.db2.gz HECRTIIJPYRXOR-CPUCHLNUSA-N 0 3 289.419 3.955 50 0 CHAAHN Cc1cccc([C@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000072408686 176398621 /nfs/dbraw/zinc/39/86/21/176398621.db2.gz UJUBEEHXJIZKFN-SFHVURJKSA-N 0 3 266.388 3.770 50 0 CHAAHN COc1ccccc1C[C@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000096479084 534118057 /nfs/dbraw/zinc/11/80/57/534118057.db2.gz GCKOMLZPWFBVLY-AAEUAGOBSA-N 0 3 290.432 3.742 50 0 CHAAHN CC(C)[C@@]1(CCNCc2ccco2)CCOC(C)(C)C1 ZINC000004063455 528888740 /nfs/dbraw/zinc/88/87/40/528888740.db2.gz ZJLQNGZFFWDROY-KRWDZBQOSA-N 0 3 279.424 3.991 50 0 biogenic CHAAHN O[C@@H](CNCc1cccc(Cl)c1Cl)c1ccccc1 ZINC000016477517 567872842 /nfs/dbraw/zinc/87/28/42/567872842.db2.gz OMKRNUKEFZQQSY-AWEZNQCLSA-N 0 3 296.197 3.817 50 0 CHAAHN CC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000058790617 566844977 /nfs/dbraw/zinc/84/49/77/566844977.db2.gz ZRATXKPGBYTWGC-GFCCVEGCSA-N 0 3 260.406 3.918 50 0 CHAAHN CN(Cc1ccc(Cl)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000066346893 566996523 /nfs/dbraw/zinc/99/65/23/566996523.db2.gz IYDGQGREERQQOM-INIZCTEOSA-N 0 3 293.769 3.645 50 0 CHAAHN C[C@@H](NCc1ccccc1)c1ccccc1-n1cccn1 ZINC000089909878 567029315 /nfs/dbraw/zinc/02/93/15/567029315.db2.gz DNXKUHVNASKMRM-OAHLLOKOSA-N 0 3 277.371 3.723 50 0 CHAAHN Cc1ccccc1-c1cncc(CN2CCCC2)c1 ZINC000037554004 567068432 /nfs/dbraw/zinc/06/84/32/567068432.db2.gz YSNDJNBZSFZPGX-UHFFFAOYSA-N 0 3 252.361 3.653 50 0 CHAAHN Cc1cc2oc(=O)cc(CN3CCC(C)CC3)c2cc1C ZINC000002329512 567100120 /nfs/dbraw/zinc/10/01/20/567100120.db2.gz KDRBTENOJOWZBC-UHFFFAOYSA-N 0 3 285.387 3.642 50 0 CHAAHN CCCCc1ccc(NC(=O)[C@@H](CC)NC(C)C)cc1 ZINC000328592591 567119228 /nfs/dbraw/zinc/11/92/28/567119228.db2.gz LJOYBNBZDJIGPL-MRXNPFEDSA-N 0 3 276.424 3.744 50 0 CHAAHN Cc1ccc([C@H](C)NCc2cccc(CO)c2)c(C)c1 ZINC000095421978 567130743 /nfs/dbraw/zinc/13/07/43/567130743.db2.gz AMATZJLJULKYJR-HNNXBMFYSA-N 0 3 269.388 3.647 50 0 CHAAHN Cc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000000196941 567822203 /nfs/dbraw/zinc/82/22/03/567822203.db2.gz LDNGMLUUTSJXLN-KRWDZBQOSA-N 0 3 262.356 3.711 50 0 biogenic CHAAHN CCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC000001530814 567837589 /nfs/dbraw/zinc/83/75/89/567837589.db2.gz LEBVLXFERQHONN-MRXNPFEDSA-N 0 3 288.435 3.897 50 0 fda CHAAHN COc1ccc(CNCc2cccc(Cl)c2)cc1OC ZINC000002577113 567848379 /nfs/dbraw/zinc/84/83/79/567848379.db2.gz FCTFPEAPJBUBCW-UHFFFAOYSA-N 0 3 291.778 3.647 50 0 CHAAHN Fc1ccccc1N1CCN(C2CCCCCC2)CC1 ZINC000003683582 567853748 /nfs/dbraw/zinc/85/37/48/567853748.db2.gz VXOFDFPEEHMDOZ-UHFFFAOYSA-N 0 3 276.399 3.671 50 0 CHAAHN Cc1oc(-c2ccco2)nc1CN1C[C@H]2C[C@@H]1CCC2 ZINC000014949622 567869994 /nfs/dbraw/zinc/86/99/94/567869994.db2.gz RCQSPSVZCNNOEZ-OLZOCXBDSA-N 0 3 272.348 3.617 50 0 CHAAHN Fc1ccc(CNCc2cccc3[nH]ccc32)cc1 ZINC000014988141 567870014 /nfs/dbraw/zinc/87/00/14/567870014.db2.gz XNKVZGOLAUCKEB-UHFFFAOYSA-N 0 3 254.308 3.597 50 0 CHAAHN C[C@H]1CCC[C@H](N2CCN(Cc3ccccc3F)CC2)C1 ZINC000019842434 567879197 /nfs/dbraw/zinc/87/91/97/567879197.db2.gz YQJPGSDHPPYAJK-RDJZCZTQSA-N 0 3 290.426 3.522 50 0 CHAAHN Cc1ccc2oc(=O)cc(CN(C)Cc3ccccc3)c2c1 ZINC000033018616 567886219 /nfs/dbraw/zinc/88/62/19/567886219.db2.gz PDEGXWMULZSHAQ-UHFFFAOYSA-N 0 3 293.366 3.733 50 0 CHAAHN Fc1ccc(N2CCN(CCCc3ccccc3)CC2)cc1 ZINC000000217113 567887277 /nfs/dbraw/zinc/88/72/77/567887277.db2.gz BUBNACALEQCLQZ-UHFFFAOYSA-N 0 3 298.405 3.581 50 0 CHAAHN CC[C@H](COc1ccccn1)NCc1ccc(Cl)cc1 ZINC000041154162 567890760 /nfs/dbraw/zinc/89/07/60/567890760.db2.gz YVMBBVFQOIUZLI-OAHLLOKOSA-N 0 3 290.794 3.682 50 0 CHAAHN Cc1cc(CNCc2cc(C)c(O)c(C)c2)cc(C)c1O ZINC000057218549 567894368 /nfs/dbraw/zinc/89/43/68/567894368.db2.gz LMXLQCFWONDIEF-UHFFFAOYSA-N 0 3 285.387 3.621 50 0 CHAAHN Cc1ccccc1CN1CCN(c2ccccc2C)CC1 ZINC000055543000 567894568 /nfs/dbraw/zinc/89/45/68/567894568.db2.gz RIFLQOHTXCCIMN-UHFFFAOYSA-N 0 3 280.415 3.626 50 0 CHAAHN Cc1ccc(NC(=O)CNC[C@@H](C)c2ccccc2)c(C)c1 ZINC000065372074 567898708 /nfs/dbraw/zinc/89/87/08/567898708.db2.gz QRIBZXJRBHJZRN-MRXNPFEDSA-N 0 3 296.414 3.635 50 0 CHAAHN CCc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000004690554 567901601 /nfs/dbraw/zinc/90/16/01/567901601.db2.gz LWWCONYXHDHQPK-UHFFFAOYSA-N 0 3 251.373 3.807 50 0 CHAAHN Cc1cc(N2CCC(c3ncc[nH]3)CC2)c2ccccc2n1 ZINC000072457866 567903227 /nfs/dbraw/zinc/90/32/27/567903227.db2.gz AMOUTWQRSOKAHV-UHFFFAOYSA-N 0 3 292.386 3.650 50 0 CHAAHN CC[C@H](C)[C@@H](C)NCc1nc(-c2cccc(C)c2)no1 ZINC000095462640 567915620 /nfs/dbraw/zinc/91/56/20/567915620.db2.gz NPYGPEOXFQQELY-QWHCGFSZSA-N 0 3 273.380 3.569 50 0 CHAAHN CC[C@H](C)[C@H](C)NCc1nc(-c2cccc(C)c2)no1 ZINC000095462642 567915657 /nfs/dbraw/zinc/91/56/57/567915657.db2.gz NPYGPEOXFQQELY-STQMWFEESA-N 0 3 273.380 3.569 50 0 CHAAHN O=C(CCN1CCCCCC1)c1ccc(Cl)cc1 ZINC000000340697 567927062 /nfs/dbraw/zinc/92/70/62/567927062.db2.gz RHPLZNDNUZKGSA-UHFFFAOYSA-N 0 3 265.784 3.789 50 0 CHAAHN CCN(Cc1ccc(OC(F)F)cc1)C[C@H]1CCCCO1 ZINC000216331334 567947720 /nfs/dbraw/zinc/94/77/20/567947720.db2.gz XVDPBHYJDVAIOC-OAHLLOKOSA-N 0 3 299.361 3.679 50 0 CHAAHN FC1CCN(Cc2ccc(CN3CCCCC3)s2)CC1 ZINC000216234535 567947752 /nfs/dbraw/zinc/94/77/52/567947752.db2.gz RQRFWYPGMZOQQX-UHFFFAOYSA-N 0 3 296.455 3.668 50 0 CHAAHN c1ccc2c(c1)CCC[C@@H]2NCc1ccc2c(c1)OCCO2 ZINC000025259510 567948946 /nfs/dbraw/zinc/94/89/46/567948946.db2.gz WEWFKFBBCLGFDP-KRWDZBQOSA-N 0 3 295.382 3.625 50 0 CHAAHN Cc1[nH]c2ccccc2c1C1CCN(Cc2cn[nH]c2)CC1 ZINC000225534499 567954129 /nfs/dbraw/zinc/95/41/29/567954129.db2.gz BRMGTHNIRBOTBY-UHFFFAOYSA-N 0 3 294.402 3.579 50 0 CHAAHN CC[C@@H](C)N(Cc1ccsc1)Cc1cccnc1 ZINC000055392891 570243332 /nfs/dbraw/zinc/24/33/32/570243332.db2.gz ZVGAFHPAWVCKAB-CYBMUJFWSA-N 0 3 260.406 3.944 50 0 CHAAHN c1ccc([C@H]2CCCN(Cc3cccnc3)CC2)cc1 ZINC000066897882 570245777 /nfs/dbraw/zinc/24/57/77/570245777.db2.gz IDOKPOLEUROBST-SFHVURJKSA-N 0 3 266.388 3.851 50 0 CHAAHN Cc1cccc(CN2CCCC[C@H]2CCc2ccccn2)n1 ZINC000215800368 570304055 /nfs/dbraw/zinc/30/40/55/570304055.db2.gz YZMTYPLJNLWPEV-IBGZPJMESA-N 0 3 295.430 3.772 50 0 CHAAHN COC1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000216066064 570304973 /nfs/dbraw/zinc/30/49/73/570304973.db2.gz YLQAMZDVXFEQBH-UHFFFAOYSA-N 0 3 289.419 3.619 50 0 CHAAHN Cc1c2ccccc2oc1CN1CCC(F)(F)CC1 ZINC000216491978 570305487 /nfs/dbraw/zinc/30/54/87/570305487.db2.gz DJWANJAMIDLDGG-UHFFFAOYSA-N 0 3 265.303 3.972 50 0 CHAAHN C[C@@H]1CCC[C@@H]2CCCN(CC(=O)Nc3ccccc3)[C@@H]12 ZINC000229649313 570316709 /nfs/dbraw/zinc/31/67/09/570316709.db2.gz RQMKDTOHBAISKM-RKVPGOIHSA-N 0 3 286.419 3.526 50 0 CHAAHN c1ccc(C(O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 ZINC000002561376 1118241866 /nfs/dbraw/zinc/24/18/66/1118241866.db2.gz TYHULHQMILADSO-IBGZPJMESA-N 0 3 293.410 3.887 50 0 CHAAHN CCCNCc1cc(Cl)ccc1Br ZINC000083457554 1130214335 /nfs/dbraw/zinc/21/43/35/1130214335.db2.gz HISNWZZIRAOBEB-UHFFFAOYSA-N 0 3 262.578 3.602 50 0 CHAAHN C[C@H](NCc1cnc(-c2ccccn2)nc1)C1=CCCCC1 ZINC000952869106 1132014927 /nfs/dbraw/zinc/01/49/27/1132014927.db2.gz XIAPBQBWHZRMIO-AWEZNQCLSA-N 0 3 294.402 3.517 50 0 CHAAHN COc1ccc(F)c(F)c1CNC(C)(C)CC(C)C ZINC000952872273 1132016212 /nfs/dbraw/zinc/01/62/12/1132016212.db2.gz MGIOTLUSHBSCNB-UHFFFAOYSA-N 0 3 271.351 3.888 50 0 CHAAHN c1cc(C2CCN(CCc3ccncc3)CC2)cs1 ZINC000186937386 230395696 /nfs/dbraw/zinc/39/56/96/230395696.db2.gz AHGMTNGVNBJAOI-UHFFFAOYSA-N 0 3 272.417 3.565 50 0 CHAAHN Cc1nn(C(C)C)c(C)c1[C@@H](C)NC[C@@H]1CCCS1 ZINC000095969256 185047379 /nfs/dbraw/zinc/04/73/79/185047379.db2.gz NBHVALBJZYFCFB-RISCZKNCSA-N 0 3 281.469 3.627 50 0 CHAAHN CCc1ccc(CN[C@@](C)(COC)c2ccccc2)cc1 ZINC000095985808 185055208 /nfs/dbraw/zinc/05/52/08/185055208.db2.gz XFQPOFXVIGSDRP-IBGZPJMESA-N 0 3 283.415 3.900 50 0 CHAAHN COc1cc(CN(Cc2cccc(C)c2)C2CC2)ccc1O ZINC000097022362 185153802 /nfs/dbraw/zinc/15/38/02/185153802.db2.gz QACKBAIVKBUSLE-UHFFFAOYSA-N 0 3 297.398 3.874 50 0 CHAAHN Fc1ccc([C@H](CC(F)(F)F)NC2CCOCC2)cc1 ZINC000090969054 180076875 /nfs/dbraw/zinc/07/68/75/180076875.db2.gz VWFBAXGCNDTYQN-ZDUSSCGKSA-N 0 3 291.288 3.588 50 0 CHAAHN Cc1ccc(C(C)(C)C)c(OCCN2CCCC2)c1 ZINC000004845135 170029792 /nfs/dbraw/zinc/02/97/92/170029792.db2.gz AONQMPSQRQVOAK-UHFFFAOYSA-N 0 3 261.409 3.767 50 0 CHAAHN CC1(O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1 ZINC000004889363 170036518 /nfs/dbraw/zinc/03/65/18/170036518.db2.gz GPNLJAZAPSEYDT-IAGOWNOFSA-N 0 3 267.372 3.603 50 0 CHAAHN COc1ccc(CN[C@@H]2CCCc3ccccc32)cc1OC ZINC000004891814 170036840 /nfs/dbraw/zinc/03/68/40/170036840.db2.gz MXBNOXVVADBBNM-QGZVFWFLSA-N 0 3 297.398 3.871 50 0 CHAAHN CN(C)CCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000004913495 170040399 /nfs/dbraw/zinc/04/03/99/170040399.db2.gz QNADLEUQBAHECM-UHFFFAOYSA-N 0 3 283.415 3.953 50 0 CHAAHN COCCNCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000004942932 170043683 /nfs/dbraw/zinc/04/36/83/170043683.db2.gz ATZZLNLBQFOGIU-UHFFFAOYSA-N 0 3 279.767 3.644 50 0 CHAAHN C[C@@H](C(=O)c1c[nH]c2ccccc12)N1C[C@H](C)C[C@H](C)C1 ZINC000005557326 170112945 /nfs/dbraw/zinc/11/29/45/170112945.db2.gz BMYNOEXNAKSRKS-MJBXVCDLSA-N 0 3 284.403 3.717 50 0 CHAAHN CSc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006416089 170199431 /nfs/dbraw/zinc/19/94/31/170199431.db2.gz OYQPHKHWGCWOPM-UHFFFAOYSA-N 0 3 293.413 3.518 50 0 CHAAHN c1ccc(COc2cccc(CNC3CC3)c2)cc1 ZINC000006702124 170229667 /nfs/dbraw/zinc/22/96/67/170229667.db2.gz XXDJZWZZAFQXAA-UHFFFAOYSA-N 0 3 253.345 3.518 50 0 CHAAHN Cc1ccc2[nH]c(C)c(CN3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008700917 170346781 /nfs/dbraw/zinc/34/67/81/170346781.db2.gz ZPVMQCJVXWHUDI-CYBMUJFWSA-N 0 3 284.403 3.789 50 0 CHAAHN CC(C)(C)NCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000010028109 170395713 /nfs/dbraw/zinc/39/57/13/170395713.db2.gz DOIVRMWYLVMBES-UHFFFAOYSA-N 0 3 298.386 3.806 50 0 CHAAHN CC[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000020124413 171006349 /nfs/dbraw/zinc/00/63/49/171006349.db2.gz OQCRGGAWRHBOSL-OAHLLOKOSA-N 0 3 287.334 3.795 50 0 CHAAHN CCc1onc(C)c1[C@@H]1CCCN1Cc1ccc(O)cc1 ZINC000021720968 171320847 /nfs/dbraw/zinc/32/08/47/171320847.db2.gz XISRWSVBHOSFNN-HNNXBMFYSA-N 0 3 286.375 3.588 50 0 CHAAHN CCn1c(CN[C@H](C)Cc2cccs2)nc2ccccc21 ZINC000038046811 174055767 /nfs/dbraw/zinc/05/57/67/174055767.db2.gz SVJIRRBDILJTHG-CYBMUJFWSA-N 0 3 299.443 3.839 50 0 CHAAHN COc1cc(CN2CCCC[C@H]2C)ccc1OC(F)F ZINC000039985823 174181630 /nfs/dbraw/zinc/18/16/30/174181630.db2.gz IGOJHVDSCRRAHG-LLVKDONJSA-N 0 3 285.334 3.671 50 0 CHAAHN Cc1n[nH]cc1CNC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000071793555 176263897 /nfs/dbraw/zinc/26/38/97/176263897.db2.gz ROJVPKYPECPZTG-UHFFFAOYSA-N 0 3 297.324 3.762 50 0 CHAAHN FC(F)(F)c1ccc(CN(C[C@H]2CCCO2)C2CC2)cc1 ZINC000072274595 176356390 /nfs/dbraw/zinc/35/63/90/176356390.db2.gz MZMBEFHIOIXBJZ-OAHLLOKOSA-N 0 3 299.336 3.849 50 0 CHAAHN c1ccc2oc(CN3CCC[C@H]4CCCC[C@@H]43)nc2c1 ZINC000052660916 526520423 /nfs/dbraw/zinc/52/04/23/526520423.db2.gz KSVLOICKWMICNZ-HIFRSBDPSA-N 0 3 270.376 3.982 50 0 CHAAHN CC[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccncc1 ZINC000096478352 529204037 /nfs/dbraw/zinc/20/40/37/529204037.db2.gz SUYUUTMRVMSOHG-IAGOWNOFSA-N 0 3 270.351 3.949 50 0 CHAAHN CNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000015356896 567870551 /nfs/dbraw/zinc/87/05/51/567870551.db2.gz ROSYLRWBBAMJHH-UHFFFAOYSA-N 0 3 255.239 3.685 50 0 CHAAHN CCN1CCC[C@@H]1CNCc1ccc(Cl)cc1Cl ZINC000019371046 567877867 /nfs/dbraw/zinc/87/78/67/567877867.db2.gz LGRBYCDQOCKYAU-CYBMUJFWSA-N 0 3 287.234 3.567 50 0 CHAAHN C[C@@H]1CN(CCCCOc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000020167292 566905057 /nfs/dbraw/zinc/90/50/57/566905057.db2.gz WPIVZRDEHDUZOB-ZIAGYGMSSA-N 0 3 297.826 3.608 50 0 CHAAHN Cc1ccccc1[C@@H]1[C@H](C)CCC[C@@H]1OCCN(C)C ZINC000075273147 566940051 /nfs/dbraw/zinc/94/00/51/566940051.db2.gz MBPBUYNCPNBLHG-NJAFHUGGSA-N 0 3 275.436 3.845 50 0 CHAAHN C[C@H](N[C@@H]1CCC[C@H]1c1ccc(F)cc1)c1cnccn1 ZINC000241774118 566968208 /nfs/dbraw/zinc/96/82/08/566968208.db2.gz RNEWVPWFYIIHIL-VBNZEHGJSA-N 0 3 285.366 3.603 50 0 CHAAHN Cc1scc(CN2CCc3ccccc3C2)c1C ZINC000006895121 567001897 /nfs/dbraw/zinc/00/18/97/567001897.db2.gz OFPZZXGMJQSTIQ-UHFFFAOYSA-N 0 3 257.402 3.923 50 0 CHAAHN CO[C@H](C)[C@H](C)NCc1ccc(-c2cccc(F)c2C)o1 ZINC000170087974 567005314 /nfs/dbraw/zinc/00/53/14/567005314.db2.gz DLYLPOIEHIYJGC-QWHCGFSZSA-N 0 3 291.366 3.907 50 0 CHAAHN c1nc(C2CC2)sc1CNCCCNc1ccccc1 ZINC000089845699 567028170 /nfs/dbraw/zinc/02/81/70/567028170.db2.gz HKZHPVJWIKWPFM-UHFFFAOYSA-N 0 3 287.432 3.612 50 0 CHAAHN C[C@H](NCCc1cccc2cccnc21)c1ccco1 ZINC000089910123 567030980 /nfs/dbraw/zinc/03/09/80/567030980.db2.gz LGBGFIZBWHFYBZ-ZDUSSCGKSA-N 0 3 266.344 3.721 50 0 CHAAHN CC[C@@H](N[C@H](C)c1ccc(C)s1)c1cnn(C)c1 ZINC000195540560 567069515 /nfs/dbraw/zinc/06/95/15/567069515.db2.gz BUAUKORTRXMEAI-DGCLKSJQSA-N 0 3 263.410 3.592 50 0 CHAAHN c1coc(CNCCOc2cccc3ccccc32)c1 ZINC000002266588 567073580 /nfs/dbraw/zinc/07/35/80/567073580.db2.gz VOVTUAKMXQWTRM-UHFFFAOYSA-N 0 3 267.328 3.601 50 0 CHAAHN Cc1cc2oc(=O)cc(CN3CCCC[C@@H]3C)c2cc1C ZINC000002328724 567100609 /nfs/dbraw/zinc/10/06/09/567100609.db2.gz RYRCCGJUKBRKPO-AWEZNQCLSA-N 0 3 285.387 3.784 50 0 CHAAHN C[C@@H]1CC2=C(C[C@@H]1CN1CCN(C)CC1)C(C)(C)CCC2 ZINC000019703372 567124301 /nfs/dbraw/zinc/12/43/01/567124301.db2.gz DNZOJJXQVWDKTC-NVXWUHKLSA-N 0 3 290.495 3.787 50 0 biogenic CHAAHN COc1cc2c(cc1OC)[C@H](/C=C/c1ccccc1)NCC2 ZINC000020113672 567126664 /nfs/dbraw/zinc/12/66/64/567126664.db2.gz KGEKIHDPYHWCFB-IJDCCNJMSA-N 0 3 295.382 3.604 50 0 biogenic CHAAHN CN1CCC[C@@H](CC(O)(c2ccccc2)c2ccccc2)C1 ZINC000096028092 567138120 /nfs/dbraw/zinc/13/81/20/567138120.db2.gz DFENTWYMBKAKAX-KRWDZBQOSA-N 0 3 295.426 3.654 50 0 CHAAHN CCN(CC)[C@@H](C)C(=O)C12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000027988319 567146428 /nfs/dbraw/zinc/14/64/28/567146428.db2.gz RWYVMAIKRGMMHS-SWOOZJHCSA-N 0 3 277.452 3.892 50 0 CHAAHN Cc1ccc2c(CN3CCC[C@H](C)C3)cc(=O)oc2c1C ZINC000003564931 567178586 /nfs/dbraw/zinc/17/85/86/567178586.db2.gz KITAMWKRJMWJMU-LBPRGKRZSA-N 0 3 285.387 3.642 50 0 CHAAHN Cc1cnc(CN(C)C[C@]2(c3ccccc3)CC2(C)C)cn1 ZINC000670469573 567194859 /nfs/dbraw/zinc/19/48/59/567194859.db2.gz LPZRSXSQLBIUOC-IBGZPJMESA-N 0 3 295.430 3.585 50 0 CHAAHN CCOc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000000060358 567817457 /nfs/dbraw/zinc/81/74/57/567817457.db2.gz JLECVQFDYUGISI-SFHVURJKSA-N 0 3 292.382 3.802 50 0 biogenic,in-vitro CHAAHN CCOC(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000000238360 567822975 /nfs/dbraw/zinc/82/29/75/567822975.db2.gz PNYKBUPGNZFXIU-UHFFFAOYSA-N 0 3 289.419 3.585 50 0 CHAAHN CCc1ccc(C(=O)[C@@H](C)CN2CCCCC2)cc1 ZINC000001846199 567843410 /nfs/dbraw/zinc/84/34/10/567843410.db2.gz SQUNAWUMZGQQJD-AWEZNQCLSA-N 0 3 259.393 3.554 50 0 world CHAAHN Cc1ccc([C@H](OCCN(C)C)c2ccccc2)cc1 ZINC000002020959 567844087 /nfs/dbraw/zinc/84/40/87/567844087.db2.gz PJUYQWIDNIAHIZ-GOSISDBHSA-N 0 3 269.388 3.663 50 0 in-vitro CHAAHN NC1=NC(c2ccccc2)=CC=C(c2ccccc2)N=N1 ZINC000002022111 567844096 /nfs/dbraw/zinc/84/40/96/567844096.db2.gz KEVVTXYCISWZBK-UHFFFAOYSA-N 0 3 274.327 3.849 50 0 CHAAHN Cc1cc(C)c2c(CN3CCCC[C@@H]3C)cc(=O)oc2c1 ZINC000002365321 567845427 /nfs/dbraw/zinc/84/54/27/567845427.db2.gz FOXGHKCOGKUNIR-AWEZNQCLSA-N 0 3 285.387 3.784 50 0 biogenic CHAAHN CSc1ccccc1C(=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000012584653 567863275 /nfs/dbraw/zinc/86/32/75/567863275.db2.gz NDWCHZVKDYKROF-CYBMUJFWSA-N 0 3 289.444 3.856 50 0 CHAAHN Clc1ccc(CCNCc2ccco2)c(Cl)c1 ZINC000013718262 567867450 /nfs/dbraw/zinc/86/74/50/567867450.db2.gz FSKMDOLMJZWHFX-UHFFFAOYSA-N 0 3 270.159 3.919 50 0 CHAAHN C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000032819262 567868983 /nfs/dbraw/zinc/86/89/83/567868983.db2.gz XTNGALBJROLALQ-OAHLLOKOSA-N 0 3 277.371 3.723 50 0 CHAAHN CCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019536269 567878018 /nfs/dbraw/zinc/87/80/18/567878018.db2.gz XPEAQMFGWXPDJU-UHFFFAOYSA-N 0 3 296.414 3.616 50 0 CHAAHN CCCCCOc1ccc(CNCc2cccnc2)cc1 ZINC000019737633 567878303 /nfs/dbraw/zinc/87/83/03/567878303.db2.gz NYNMUKFRSYRCOR-UHFFFAOYSA-N 0 3 284.403 3.940 50 0 CHAAHN CC(C)(C)c1ccccc1OCCNCc1cccnc1 ZINC000019737638 567878359 /nfs/dbraw/zinc/87/83/59/567878359.db2.gz BRYLMYUZWFQJSX-UHFFFAOYSA-N 0 3 284.403 3.548 50 0 CHAAHN COc1ccccc1CNCCc1cccc(Cl)c1 ZINC000019720918 567878449 /nfs/dbraw/zinc/87/84/49/567878449.db2.gz VLPJTOPGPHRBKD-UHFFFAOYSA-N 0 3 275.779 3.681 50 0 CHAAHN Fc1ccc(CCNCc2ccccc2Cl)cc1 ZINC000019871917 567879816 /nfs/dbraw/zinc/87/98/16/567879816.db2.gz UTKHBYYNDIUBFF-UHFFFAOYSA-N 0 3 263.743 3.811 50 0 CHAAHN Fc1cc(Br)ccc1CNC1CCCC1 ZINC000036668011 567889646 /nfs/dbraw/zinc/88/96/46/567889646.db2.gz DUAPGRXWOJXAKP-UHFFFAOYSA-N 0 3 272.161 3.620 50 0 CHAAHN c1ccc2oc([C@@H]3CCCN(Cc4cccnc4)C3)nc2c1 ZINC000029832949 567894406 /nfs/dbraw/zinc/89/44/06/567894406.db2.gz SGICBQFPSWPUSF-OAHLLOKOSA-N 0 3 293.370 3.602 50 0 CHAAHN c1cn(CC2CC2)c(C2CCN(Cc3ccccc3)CC2)n1 ZINC000082107305 567906936 /nfs/dbraw/zinc/90/69/36/567906936.db2.gz BRWFLVMYSVPHJJ-UHFFFAOYSA-N 0 3 295.430 3.673 50 0 CHAAHN COc1ccc(-c2ccc(CN3CCCC3)cn2)c(C)c1 ZINC000097468662 567910382 /nfs/dbraw/zinc/91/03/82/567910382.db2.gz AMGBAVVRVCEEAB-UHFFFAOYSA-N 0 3 282.387 3.661 50 0 CHAAHN CSc1cccc(CN2CC[C@](O)(c3ccccc3)C2)c1 ZINC000097604242 567910965 /nfs/dbraw/zinc/91/09/65/567910965.db2.gz YFSRVZWESBGALR-GOSISDBHSA-N 0 3 299.439 3.502 50 0 CHAAHN COc1ccc2[nH]c3c(c2c1)CCN1C[C@@H]2CCCC[C@H]2[C@H]31 ZINC000247937539 567928419 /nfs/dbraw/zinc/92/84/19/567928419.db2.gz HKCFIODYAGNXJQ-BBEJJTJUSA-N 0 3 296.414 3.896 50 0 biogenic CHAAHN CCOC(=O)[C@H]1CCCN(Cc2ccc(C(C)C)cc2)C1 ZINC000000238833 567935662 /nfs/dbraw/zinc/93/56/62/567935662.db2.gz MUFRKDZYGUPQFZ-KRWDZBQOSA-N 0 3 289.419 3.585 50 0 CHAAHN CCc1ccc(CN2CCC(c3cccc(O)c3)CC2)nc1 ZINC000215893309 567947364 /nfs/dbraw/zinc/94/73/64/567947364.db2.gz NSSKMJRZACQYET-UHFFFAOYSA-N 0 3 296.414 3.729 50 0 CHAAHN c1ccc2c(c1)CCC[C@H]2NCc1ccc2c(c1)OCCO2 ZINC000025259506 567949122 /nfs/dbraw/zinc/94/91/22/567949122.db2.gz WEWFKFBBCLGFDP-QGZVFWFLSA-N 0 3 295.382 3.625 50 0 CHAAHN COc1ccc2cc(CNCc3ccc(C)nc3)ccc2c1 ZINC000047825973 570295875 /nfs/dbraw/zinc/29/58/75/570295875.db2.gz UMGQWBXKLCVZFL-UHFFFAOYSA-N 0 3 292.382 3.842 50 0 CHAAHN COCCC1CCN(Cc2ccccc2SC)CC1 ZINC000215164606 570302429 /nfs/dbraw/zinc/30/24/29/570302429.db2.gz FTBFDFJGGQVVST-UHFFFAOYSA-N 0 3 279.449 3.657 50 0 CHAAHN Cc1ccc([C@@H](OCCN(C)C)c2ccccc2C)cc1 ZINC000001999766 570326725 /nfs/dbraw/zinc/32/67/25/570326725.db2.gz BYKJZUIFODXLEW-LJQANCHMSA-N 0 3 283.415 3.971 50 0 CHAAHN Cc1ncccc1CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000334435030 570328108 /nfs/dbraw/zinc/32/81/08/570328108.db2.gz YUPCQDFNDOALNZ-LBPRGKRZSA-N 0 3 272.314 3.553 50 0 CHAAHN CNC(=O)c1ccc(CN[C@H](c2ccccc2)C(C)C)cc1 ZINC000074230029 570338178 /nfs/dbraw/zinc/33/81/78/570338178.db2.gz NMLIOAFOYQHIOH-SFHVURJKSA-N 0 3 296.414 3.533 50 0 CHAAHN CC(C)c1ccc2oc(=O)cc(CN3CCCCC3)c2c1 ZINC000002117710 570373600 /nfs/dbraw/zinc/37/36/00/570373600.db2.gz RLUKXMWBYJBRHH-UHFFFAOYSA-N 0 3 285.387 3.902 50 0 biogenic CHAAHN Cc1c(F)cccc1-c1ccc(CN(C)CC[C@@H](C)O)o1 ZINC000093481233 570395946 /nfs/dbraw/zinc/39/59/46/570395946.db2.gz NFCKAVWELHQLGA-GFCCVEGCSA-N 0 3 291.366 3.597 50 0 CHAAHN CC[C@@H]1CN(CC(C)(C)C)Cc2cc(OC)ccc2O1 ZINC000012452641 1121027360 /nfs/dbraw/zinc/02/73/60/1121027360.db2.gz KVWVCYXRKKLTJR-CQSZACIVSA-N 0 3 277.408 3.714 50 0 CHAAHN Cc1ccc(NC(=O)CN(C)C2CCCCC2)cc1C ZINC000007786519 230370144 /nfs/dbraw/zinc/37/01/44/230370144.db2.gz QJVIVHRUSYCVRW-UHFFFAOYSA-N 0 3 274.408 3.506 50 0 CHAAHN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@H](C)C1 ZINC000106638864 186129815 /nfs/dbraw/zinc/12/98/15/186129815.db2.gz HYVYTRFOOREVKP-UONOGXRCSA-N 0 3 282.387 3.509 50 0 CHAAHN CC(C)C[C@@H](NCCc1ccccc1O)c1ccccn1 ZINC000154921757 188169935 /nfs/dbraw/zinc/16/99/35/188169935.db2.gz GPTRCIPXPCDRTF-QGZVFWFLSA-N 0 3 284.403 3.707 50 0 CHAAHN Cc1ccc2c(CN3C[C@H](C)C[C@H](C)C3)cc(=O)oc2c1 ZINC000005163216 170072633 /nfs/dbraw/zinc/07/26/33/170072633.db2.gz GYQYYSLJMFFRTC-OKILXGFUSA-N 0 3 285.387 3.579 50 0 biogenic CHAAHN c1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1 ZINC000005410518 170095344 /nfs/dbraw/zinc/09/53/44/170095344.db2.gz LBGOFHYKRZHFRX-UHFFFAOYSA-N 0 3 299.443 3.722 50 0 CHAAHN CCOc1ccccc1OC[C@H](CN(C)C)c1ccccc1 ZINC000005476091 170102853 /nfs/dbraw/zinc/10/28/53/170102853.db2.gz GOQNZYYJEHRBJM-KRWDZBQOSA-N 0 3 299.414 3.810 50 0 CHAAHN CCCCNc1c2ccccc2nc2c1[C@H](O)CC(C)(C)C2 ZINC000005833833 170145401 /nfs/dbraw/zinc/14/54/01/170145401.db2.gz LFWFLIANIUXLHX-MRXNPFEDSA-N 0 3 298.430 3.875 50 0 CHAAHN C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2cccc3ccccc32)C1 ZINC000006730762 170235153 /nfs/dbraw/zinc/23/51/53/170235153.db2.gz JYCLAIHWADDGSC-HUUCEWRRSA-N 0 3 296.414 3.756 50 0 CHAAHN CCOc1ccc(CNCc2ccc(F)cc2)cc1OC ZINC000008324710 170331326 /nfs/dbraw/zinc/33/13/26/170331326.db2.gz QESDHWPIZIHSKE-UHFFFAOYSA-N 0 3 289.350 3.523 50 0 CHAAHN Cc1ccc2[nH]c(C)c(CN3CCC(C)CC3)c(=O)c2c1 ZINC000008691923 170346000 /nfs/dbraw/zinc/34/60/00/170346000.db2.gz RMNBJXRELLDLJU-UHFFFAOYSA-N 0 3 284.403 3.789 50 0 CHAAHN Cc1[nH]c2ccc(Cl)cc2c(=O)c1CN1CCCCC1 ZINC000008700893 170346913 /nfs/dbraw/zinc/34/69/13/170346913.db2.gz WKAMLFYIPWORRV-UHFFFAOYSA-N 0 3 290.794 3.888 50 0 CHAAHN Cc1cccc2c(=O)c(CN3CCCC[C@H]3C)c(C)[nH]c12 ZINC000008714601 170348731 /nfs/dbraw/zinc/34/87/31/170348731.db2.gz BKKMOZKDUDRLCS-CYBMUJFWSA-N 0 3 284.403 3.932 50 0 biogenic,in-vitro CHAAHN Cc1cccc(C)c1OCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000020167232 171040736 /nfs/dbraw/zinc/04/07/36/171040736.db2.gz QTZNHESGTDJNRS-IRXDYDNUSA-N 0 3 291.435 3.572 50 0 CHAAHN Cc1ccc(OCCCCN2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000020168153 171040753 /nfs/dbraw/zinc/04/07/53/171040753.db2.gz MPQYZXUZHVKOLR-IRXDYDNUSA-N 0 3 291.435 3.572 50 0 CHAAHN CCCNCc1ccc(Br)cc1Cl ZINC000037366878 173155918 /nfs/dbraw/zinc/15/59/18/173155918.db2.gz POUDCVPNPRNNLT-UHFFFAOYSA-N 0 3 262.578 3.602 50 0 CHAAHN Fc1ccc([C@@H]2CCCCN2CCc2ccccn2)cc1 ZINC000072170457 176333314 /nfs/dbraw/zinc/33/33/14/176333314.db2.gz DZVRMRQGJVPLIS-SFHVURJKSA-N 0 3 284.378 3.990 50 0 CHAAHN C[C@@H](NCc1ccccc1Cl)[C@@H](O)c1ccccc1 ZINC000019871865 326857350 /nfs/dbraw/zinc/85/73/50/326857350.db2.gz KCYXVAXVDNWVJI-MLGOLLRUSA-N 0 3 275.779 3.552 50 0 CHAAHN CC(C)(O)CCc1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000072439255 327110823 /nfs/dbraw/zinc/11/08/23/327110823.db2.gz KGIOIJHHSNLHLV-UHFFFAOYSA-N 0 3 297.389 3.621 50 0 CHAAHN Cc1cncc(CNCc2ccc(C)c(Cl)c2)c1 ZINC000195448760 336053928 /nfs/dbraw/zinc/05/39/28/336053928.db2.gz BBJDMVSIJUJJID-UHFFFAOYSA-N 0 3 260.768 3.642 50 0 CHAAHN COc1ccc(CC[C@@H](C)NCc2nc(C)cs2)cc1 ZINC000038091007 523981593 /nfs/dbraw/zinc/98/15/93/523981593.db2.gz CGXZAVWPEMGLRT-GFCCVEGCSA-N 0 3 290.432 3.571 50 0 CHAAHN Fc1ccccc1COc1ccccc1CNC1CC1 ZINC000016449612 526411477 /nfs/dbraw/zinc/41/14/77/526411477.db2.gz LQQUIZYHIUOOCO-UHFFFAOYSA-N 0 3 271.335 3.657 50 0 CHAAHN O[C@@H](CNCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000019872322 527652258 /nfs/dbraw/zinc/65/22/58/527652258.db2.gz PIDCUNKRRFRBPG-SFHVURJKSA-N 0 3 293.366 3.770 50 0 CHAAHN Cc1cccc(NC(=O)CN([C@H](C)C2CC2)C2CC2)c1C ZINC000031653733 566844207 /nfs/dbraw/zinc/84/42/07/566844207.db2.gz GSDWQSDWQGUNGT-CQSZACIVSA-N 0 3 286.419 3.505 50 0 CHAAHN CN(Cc1nnc(-c2ccccc2)o1)C1CCCCCC1 ZINC000053847202 566956284 /nfs/dbraw/zinc/95/62/84/566956284.db2.gz FIKPKVBRKCKWMT-UHFFFAOYSA-N 0 3 285.391 3.891 50 0 CHAAHN CC[C@@H]1[C@H](O)C[C@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000239173674 567007541 /nfs/dbraw/zinc/00/75/41/567007541.db2.gz OKNRTYWYWMOJGO-MKXGPGLRSA-N 0 3 281.399 3.849 50 0 CHAAHN C(=C/c1ccc(CN2CCCC2)cn1)\c1ccccc1 ZINC000065397105 567008307 /nfs/dbraw/zinc/00/83/07/567008307.db2.gz NQEBIAVQVDOIOK-CSKARUKUSA-N 0 3 264.372 3.848 50 0 CHAAHN C[C@@H]1C[C@@H](c2ccsc2)CN1Cc1ccncc1 ZINC000095401543 567038973 /nfs/dbraw/zinc/03/89/73/567038973.db2.gz DJPDQXZFCVTWSO-IUODEOHRSA-N 0 3 258.390 3.521 50 0 CHAAHN C[C@H](NCCc1ccccc1)c1cccnc1Cl ZINC000095419227 567131521 /nfs/dbraw/zinc/13/15/21/567131521.db2.gz KLNUOYPEVWTLGB-LBPRGKRZSA-N 0 3 260.768 3.628 50 0 CHAAHN Cc1noc(C)c1CCN[C@@H](CC(C)C)c1ccccn1 ZINC000095422126 567131590 /nfs/dbraw/zinc/13/15/90/567131590.db2.gz YSEASXYLTLHARB-KRWDZBQOSA-N 0 3 287.407 3.606 50 0 CHAAHN CCN(CC)[C@@H](CNC(=O)CC(C)(C)C)c1ccccc1 ZINC000057288257 567154791 /nfs/dbraw/zinc/15/47/91/567154791.db2.gz PAXYFQMVAISZQO-INIZCTEOSA-N 0 3 290.451 3.622 50 0 CHAAHN CN(CC[C@H]1CC1(F)F)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000670436110 567168323 /nfs/dbraw/zinc/16/83/23/567168323.db2.gz OSDKUEFAUYVOBJ-VIFPVBQESA-N 0 3 299.752 3.693 50 0 CHAAHN C[C@H](Cc1ccccc1F)N1CCN(c2ccccc2)CC1 ZINC000000216208 567822312 /nfs/dbraw/zinc/82/23/12/567822312.db2.gz HESNJCULOIZPRG-MRXNPFEDSA-N 0 3 298.405 3.579 50 0 CHAAHN Clc1ccccc1N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000000277441 567823603 /nfs/dbraw/zinc/82/36/03/567823603.db2.gz OKCMWEYIBWFRTH-OAHLLOKOSA-N 0 3 290.838 3.818 50 0 CHAAHN COc1ccc(CN[C@H](C)c2ccccc2)cc1OC ZINC000000570992 567833712 /nfs/dbraw/zinc/83/37/12/567833712.db2.gz UPMJXBLRDCBHGF-CYBMUJFWSA-N 0 3 271.360 3.555 50 0 CHAAHN CCCOc1ccc(C(=O)CCN2CCCCC2)cc1 ZINC000001999568 567843877 /nfs/dbraw/zinc/84/38/77/567843877.db2.gz STHAHFPLLHRRRO-UHFFFAOYSA-N 0 3 275.392 3.534 50 0 in-man CHAAHN CCN(CC)CCOC(=O)Nc1cccc2ccccc21 ZINC000002015160 567844034 /nfs/dbraw/zinc/84/40/34/567844034.db2.gz RDIBZKPSUBFQEP-UHFFFAOYSA-N 0 3 286.375 3.730 50 0 CHAAHN CC(C)[C@H](N)C(F)(c1ccccc1)c1ccccc1 ZINC000002506632 567846186 /nfs/dbraw/zinc/84/61/86/567846186.db2.gz MJIXRSWLVFUMCB-INIZCTEOSA-N 0 3 257.352 3.883 50 0 CHAAHN COc1ccccc1C(=O)c1ccc(CN2CCCC2)cc1 ZINC000002514548 567846476 /nfs/dbraw/zinc/84/64/76/567846476.db2.gz NTKAPCFYXAUZSI-UHFFFAOYSA-N 0 3 295.382 3.522 50 0 CHAAHN CCCCC[C@@H](C)NCc1cc(OC)ccc1OC ZINC000035133998 567850537 /nfs/dbraw/zinc/85/05/37/567850537.db2.gz YUALOCQDNCKIFV-CYBMUJFWSA-N 0 3 265.397 3.762 50 0 CHAAHN c1cc(C2CCN(CCc3ccccn3)CC2)cs1 ZINC000186954318 567859552 /nfs/dbraw/zinc/85/95/52/567859552.db2.gz RIGCNTOLGAHGSZ-UHFFFAOYSA-N 0 3 272.417 3.565 50 0 CHAAHN C[C@H](c1cccc(Cl)c1)N1CCN2CCCC[C@H]2C1 ZINC000241587860 567859957 /nfs/dbraw/zinc/85/99/57/567859957.db2.gz OXRRHZUMZJTZFD-CJNGLKHVSA-N 0 3 278.827 3.571 50 0 CHAAHN CCC[C@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010363777 567861393 /nfs/dbraw/zinc/86/13/93/567861393.db2.gz KMSROQSCVAVPLF-HNNXBMFYSA-N 0 3 288.435 3.591 50 0 CHAAHN C/C=C(\C)CN1CCC[C@@H](Nc2cccc(F)c2)C1 ZINC000012050949 567862082 /nfs/dbraw/zinc/86/20/82/567862082.db2.gz FKNYLVWADQTXRH-JUNHHFQASA-N 0 3 262.372 3.668 50 0 CHAAHN CC(C)C[C@H](N)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000011961349 567862406 /nfs/dbraw/zinc/86/24/06/567862406.db2.gz MTSPMSPHSCYSRY-KRWDZBQOSA-N 0 3 298.386 3.791 50 0 CHAAHN CCCN1CCC[C@H](C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC000012507507 567863287 /nfs/dbraw/zinc/86/32/87/567863287.db2.gz WIFQZKFWPZEZCK-HNNXBMFYSA-N 0 3 289.419 3.617 50 0 CHAAHN c1ccc(CC[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000012449464 567863370 /nfs/dbraw/zinc/86/33/70/567863370.db2.gz VUSCDETVURUBAS-GOSISDBHSA-N 0 3 280.415 3.926 50 0 CHAAHN COCCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000013722623 567867332 /nfs/dbraw/zinc/86/73/32/567867332.db2.gz UBXMYUUAJNGUQI-UHFFFAOYSA-N 0 3 279.767 3.726 50 0 CHAAHN C[C@@H]1CN(CCCCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000016192980 567872302 /nfs/dbraw/zinc/87/23/02/567872302.db2.gz LXEXTDQLQRFWCC-OKILXGFUSA-N 0 3 297.826 3.608 50 0 CHAAHN COc1ccc([C@@H](N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000019476465 567877938 /nfs/dbraw/zinc/87/79/38/567877938.db2.gz YQCQSGAABUDZAD-AWEZNQCLSA-N 0 3 281.277 3.762 50 0 CHAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccccc1C ZINC000019957849 567880086 /nfs/dbraw/zinc/88/00/86/567880086.db2.gz ODSGGAAYPQHRQF-SFHVURJKSA-N 0 3 292.382 3.720 50 0 CHAAHN CC[C@@](CO)(NCc1ccc(C)c(C)c1)c1ccccc1 ZINC000072289912 567884231 /nfs/dbraw/zinc/88/42/31/567884231.db2.gz KWNHYEFBWUINRS-IBGZPJMESA-N 0 3 283.415 3.691 50 0 CHAAHN c1ccc(COC2CCN(Cc3ccccc3)CC2)cc1 ZINC000034759649 567888755 /nfs/dbraw/zinc/88/87/55/567888755.db2.gz NMBJDLXKQWESDE-UHFFFAOYSA-N 0 3 281.399 3.868 50 0 CHAAHN CC[C@@H](C)CNCc1ccccc1Br ZINC000042419220 567891660 /nfs/dbraw/zinc/89/16/60/567891660.db2.gz CSENELAXHWXZNX-SNVBAGLBSA-N 0 3 256.187 3.585 50 0 CHAAHN Cc1ccsc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000055543106 567894572 /nfs/dbraw/zinc/89/45/72/567894572.db2.gz AKMJUNFYHIMQOK-UHFFFAOYSA-N 0 3 290.407 3.518 50 0 CHAAHN Cc1cc(CN(Cc2ccccc2C)CC(C)C)n(C)n1 ZINC000063833089 567897512 /nfs/dbraw/zinc/89/75/12/567897512.db2.gz FGIUWIWHYHWFSD-UHFFFAOYSA-N 0 3 285.435 3.695 50 0 CHAAHN Cc1ccc(Oc2ccccc2CN2CCCCC2)nn1 ZINC000067896319 567901206 /nfs/dbraw/zinc/90/12/06/567901206.db2.gz KPSDTEBBCRBCNH-UHFFFAOYSA-N 0 3 283.375 3.563 50 0 CHAAHN CCNCc1cc(-c2ccc([C@H](C)CC)cc2)n[nH]1 ZINC000725264784 567923342 /nfs/dbraw/zinc/92/33/42/567923342.db2.gz XANXEHUHIHPXHF-GFCCVEGCSA-N 0 3 257.381 3.700 50 0 CHAAHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)CC(F)(F)F ZINC000134912131 567929579 /nfs/dbraw/zinc/92/95/79/567929579.db2.gz YGYKRTPNDDCTIZ-ZJUUUORDSA-N 0 3 291.361 3.938 50 0 CHAAHN Cc1csc([C@@H](N[C@H](C)CC2CC2)C2CC2)n1 ZINC000095423330 567931609 /nfs/dbraw/zinc/93/16/09/567931609.db2.gz MWANTBSXULGPNE-RNCFNFMXSA-N 0 3 250.411 3.681 50 0 CHAAHN c1ccc(COC[C@H]2CCCN(Cc3ccccn3)C2)cc1 ZINC000062161958 567932244 /nfs/dbraw/zinc/93/22/44/567932244.db2.gz PUNYGCONFSAWHD-SFHVURJKSA-N 0 3 296.414 3.510 50 0 CHAAHN COc1ccc2c(c1)CCC[C@H]2NCc1ccccc1 ZINC000019899659 567944958 /nfs/dbraw/zinc/94/49/58/567944958.db2.gz ZRWMHLVIVRKHBX-GOSISDBHSA-N 0 3 267.372 3.862 50 0 CHAAHN c1cc(CNC[C@@H](c2ccccc2)N2CCCC2)cs1 ZINC000020096474 567945344 /nfs/dbraw/zinc/94/53/44/567945344.db2.gz YZWYXQPSHLRYFH-KRWDZBQOSA-N 0 3 286.444 3.675 50 0 CHAAHN CCCC[C@H](CC)CN1CCc2[nH]nc(C3CC3)c2C1 ZINC000048488345 567946523 /nfs/dbraw/zinc/94/65/23/567946523.db2.gz AGWVLOOTXYONRL-ZDUSSCGKSA-N 0 3 275.440 3.862 50 0 CHAAHN CCCC[C@H](CC)CN1CCc2n[nH]c(C3CC3)c2C1 ZINC000048488345 567946524 /nfs/dbraw/zinc/94/65/24/567946524.db2.gz AGWVLOOTXYONRL-ZDUSSCGKSA-N 0 3 275.440 3.862 50 0 CHAAHN C/C=C(\C)CN1CCC[C@H](Nc2ccc(F)c(F)c2)C1 ZINC000011839365 570220843 /nfs/dbraw/zinc/22/08/43/570220843.db2.gz RUTJARMMUFWHMM-RRIZPTRRSA-N 0 3 280.362 3.807 50 0 CHAAHN CC(C)OC(=O)[C@@H](CNCc1ccccc1)c1ccccc1 ZINC000071772775 570234063 /nfs/dbraw/zinc/23/40/63/570234063.db2.gz YKXHQDXZXHMPTN-SFHVURJKSA-N 0 3 297.398 3.512 50 0 CHAAHN CC/C=C(\C)CN(CCCn1ccnc1)Cc1cccnc1 ZINC000055153428 570240897 /nfs/dbraw/zinc/24/08/97/570240897.db2.gz PMZBKILVQJDMIB-UBKPWBPPSA-N 0 3 298.434 3.527 50 0 CHAAHN Cc1ccc(C)c(N2CCN(Cc3ccccc3C)CC2)c1 ZINC000055292334 570242574 /nfs/dbraw/zinc/24/25/74/570242574.db2.gz PDOGPIRDBACISK-UHFFFAOYSA-N 0 3 294.442 3.934 50 0 CHAAHN CCCn1nc(C)c(-c2cccc(CN(C)C)c2)c1C ZINC000585133995 570252187 /nfs/dbraw/zinc/25/21/87/570252187.db2.gz YIUFGDJYQFGHHG-UHFFFAOYSA-N 0 3 271.408 3.639 50 0 CHAAHN CN1[C@@H](c2ccccc2)CC(O)C[C@@H]1c1ccccc1 ZINC000000353982 570264990 /nfs/dbraw/zinc/26/49/90/570264990.db2.gz CVCRCZBXPUGBNK-QZTJIDSGSA-N 0 3 267.372 3.556 50 0 CHAAHN Fc1cccc([C@H]2CCCN2CCc2ccncc2)c1 ZINC000048248667 570296615 /nfs/dbraw/zinc/29/66/15/570296615.db2.gz OOHIQGYXYNRHBJ-QGZVFWFLSA-N 0 3 270.351 3.600 50 0 CHAAHN COC1CCN(Cc2ccc(-c3ccco3)cc2)CC1 ZINC000215375118 570302764 /nfs/dbraw/zinc/30/27/64/570302764.db2.gz JOLXAQGOUKKKTP-UHFFFAOYSA-N 0 3 271.360 3.557 50 0 CHAAHN Cc1ccc([C@H](OCCN(C)C)c2ccccc2C)cc1 ZINC000001999765 570326772 /nfs/dbraw/zinc/32/67/72/570326772.db2.gz BYKJZUIFODXLEW-IBGZPJMESA-N 0 3 283.415 3.971 50 0 CHAAHN Cc1n[nH]cc1CN[C@H](c1cccs1)C1CCCC1 ZINC000037128920 570362915 /nfs/dbraw/zinc/36/29/15/570362915.db2.gz LCGQRBWRJVEKIL-HNNXBMFYSA-N 0 3 275.421 3.801 50 0 CHAAHN CC[C@H](C)CN1Cc2cc(OC)ccc2O[C@@H](CC)C1 ZINC000039455658 570401237 /nfs/dbraw/zinc/40/12/37/570401237.db2.gz JHLFCHDHYLMVMS-ZFWWWQNUSA-N 0 3 277.408 3.714 50 0 CHAAHN CC[C@@H](CCO)NCc1ccc(-c2cccc(F)c2C)o1 ZINC000077452801 570404799 /nfs/dbraw/zinc/40/47/99/570404799.db2.gz MNFUDVXKVZVBME-ZDUSSCGKSA-N 0 3 291.366 3.645 50 0 CHAAHN CCCO[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000952982053 614951836 /nfs/dbraw/zinc/95/18/36/614951836.db2.gz VBWCNSPLRPTUNH-OAHLLOKOSA-N 0 3 273.376 3.824 50 0 CHAAHN Cc1oc2ccccc2c1CN1CCC[C@@H]1c1cnn(C)c1 ZINC000131891750 1127761460 /nfs/dbraw/zinc/76/14/60/1127761460.db2.gz RTVHVDRYVBKOFG-QGZVFWFLSA-N 0 3 295.386 3.812 50 0 CHAAHN Cc1ccc(Cl)cc1NC(=O)CN(C)C1CCCCC1 ZINC000007786529 230370230 /nfs/dbraw/zinc/37/02/30/230370230.db2.gz CVCBPQBHUKNIIT-UHFFFAOYSA-N 0 3 294.826 3.851 50 0 CHAAHN C[C@H](NCC[S@](=O)C(C)(C)C)c1cc2ccccc2o1 ZINC000095968129 185046420 /nfs/dbraw/zinc/04/64/20/185046420.db2.gz GWPVQKBLQIGYOR-FKIZINRSSA-N 0 3 293.432 3.631 50 0 CHAAHN CCc1ccc([C@@H](C)NCCCc2c(C)noc2C)o1 ZINC000095969135 185047824 /nfs/dbraw/zinc/04/78/24/185047824.db2.gz WMKHJBYJDBIMNO-GFCCVEGCSA-N 0 3 276.380 3.730 50 0 CHAAHN CCO[C@@H]1C[C@@H](N[C@@H](c2nccs2)C2CC2)C12CCC2 ZINC000095987960 185056964 /nfs/dbraw/zinc/05/69/64/185056964.db2.gz PGEDMXQKTUGDRT-MGPQQGTHSA-N 0 3 292.448 3.532 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CN[C@H]2CCO[C@@H]2C)o1 ZINC000225526727 189756584 /nfs/dbraw/zinc/75/65/84/189756584.db2.gz LMKYQIPQPORYNZ-WBMJQRKESA-N 0 3 289.350 3.661 50 0 CHAAHN CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC000000001672 169502948 /nfs/dbraw/zinc/50/29/48/169502948.db2.gz DKMFBWQBDIGMHM-UHFFFAOYSA-N 0 3 263.356 3.521 50 0 world CHAAHN Fc1ccccc1NC1CCN(CCc2ccccc2)CC1 ZINC000000221453 169579627 /nfs/dbraw/zinc/57/96/27/169579627.db2.gz WUNLGTOLOUTCPE-UHFFFAOYSA-N 0 3 298.405 3.945 50 0 in-vitro CHAAHN COc1ccc(CN2CCc3ccccc3C2)c(C)c1C ZINC000004838217 170026729 /nfs/dbraw/zinc/02/67/29/170026729.db2.gz UFXVNYKYMGBBBD-UHFFFAOYSA-N 0 3 281.399 3.870 50 0 CHAAHN Clc1ccc(OCCN2CCCCC2)cc1Cl ZINC000004845287 170029278 /nfs/dbraw/zinc/02/92/78/170029278.db2.gz ZTTCPEMPWOYOKI-UHFFFAOYSA-N 0 3 274.191 3.858 50 0 CHAAHN COc1ccc(CN[C@@H]2CCCc3ccccc32)c(OC)c1 ZINC000004891726 170036991 /nfs/dbraw/zinc/03/69/91/170036991.db2.gz STSLPNQNBVMGPK-GOSISDBHSA-N 0 3 297.398 3.871 50 0 CHAAHN CCOC(=O)[C@@H]1CCCN(Cc2ccc3ccccc3c2)C1 ZINC000004977474 170048210 /nfs/dbraw/zinc/04/82/10/170048210.db2.gz ZFCMHXQDHOCIMW-GOSISDBHSA-N 0 3 297.398 3.615 50 0 CHAAHN COc1cc2c(cc1OC)CN(C1CCC(C)CC1)CC2 ZINC000004989388 170049787 /nfs/dbraw/zinc/04/97/87/170049787.db2.gz ONLQSTQNNRDBGB-UHFFFAOYSA-N 0 3 289.419 3.641 50 0 CHAAHN Brc1ccccc1CN1CCCCCC1 ZINC000004990205 170050419 /nfs/dbraw/zinc/05/04/19/170050419.db2.gz XSKQXJQSTMJABQ-UHFFFAOYSA-N 0 3 268.198 3.825 50 0 CHAAHN CCOc1ccc2ccccc2c1CNC[C@H]1CCCO1 ZINC000005019259 170056790 /nfs/dbraw/zinc/05/67/90/170056790.db2.gz DBCSHZOYTICMCR-OAHLLOKOSA-N 0 3 285.387 3.507 50 0 CHAAHN CCCOc1ccc(C(=O)Nc2ccccc2)cc1OC ZINC000006415418 170199559 /nfs/dbraw/zinc/19/95/59/170199559.db2.gz HXFVGNNJBRGPDH-UHFFFAOYSA-N 0 3 285.343 3.736 50 0 CHAAHN CCOc1ccc(Cl)cc1CNC1CCCC1 ZINC000008324496 170330812 /nfs/dbraw/zinc/33/08/12/170330812.db2.gz ZNOCDFPCRDZSIU-UHFFFAOYSA-N 0 3 253.773 3.771 50 0 CHAAHN c1ccc([C@H](CN2CCCCC2)Oc2ccccn2)cc1 ZINC000008581424 170341736 /nfs/dbraw/zinc/34/17/36/170341736.db2.gz MZPHZMLXLGXMTG-KRWDZBQOSA-N 0 3 282.387 3.688 50 0 CHAAHN CCN(CC)Cc1c(C)[nH]c2ccc(Cl)cc2c1=O ZINC000008700885 170346622 /nfs/dbraw/zinc/34/66/22/170346622.db2.gz WTUXHOHIYDMSNT-UHFFFAOYSA-N 0 3 278.783 3.744 50 0 CHAAHN CN1CCC2(CC1)O[C@@H]1CCCC[C@H]1c1sccc12 ZINC000008782740 170356070 /nfs/dbraw/zinc/35/60/70/170356070.db2.gz JVVJQXXUHSTANP-TZMCWYRMSA-N 0 3 277.433 3.725 50 0 CHAAHN c1ccc(-c2ncc3c(n2)CCC[C@H]3NC2CCC2)cc1 ZINC000015077879 170656535 /nfs/dbraw/zinc/65/65/35/170656535.db2.gz HVWWJRSAYWUPCJ-MRXNPFEDSA-N 0 3 279.387 3.663 50 0 CHAAHN COc1ccc2cc(CNCc3cccnc3)ccc2c1 ZINC000020140579 171026556 /nfs/dbraw/zinc/02/65/56/171026556.db2.gz KGNQETSHBRWYGO-UHFFFAOYSA-N 0 3 278.355 3.533 50 0 CHAAHN OCC[C@@H]1CCCCN1CCCc1ccccc1Cl ZINC000020909423 171278808 /nfs/dbraw/zinc/27/88/08/171278808.db2.gz WUFVVBDJZVHKLF-HNNXBMFYSA-N 0 3 281.827 3.510 50 0 CHAAHN C[C@H](CC(=O)[C@H]1[C@H](C)C=CCC1(C)C)NCc1ccco1 ZINC000072334037 176370427 /nfs/dbraw/zinc/37/04/27/176370427.db2.gz HECRTIIJPYRXOR-CKEIUWERSA-N 0 3 289.419 3.955 50 0 CHAAHN Cc1cccc([C@@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000072408685 176398242 /nfs/dbraw/zinc/39/82/42/176398242.db2.gz UJUBEEHXJIZKFN-GOSISDBHSA-N 0 3 266.388 3.770 50 0 CHAAHN CN(CCc1ccccc1)Cc1ccc(Br)o1 ZINC000023282006 266022637 /nfs/dbraw/zinc/02/26/37/266022637.db2.gz RCMOMVQOLJMNIS-UHFFFAOYSA-N 0 3 294.192 3.717 50 0 CHAAHN Clc1cc(Br)ccc1CNC1CCC1 ZINC000126788988 326870618 /nfs/dbraw/zinc/87/06/18/326870618.db2.gz YBBGVSMYYDMTFM-UHFFFAOYSA-N 0 3 274.589 3.745 50 0 CHAAHN Cc1ccc(-c2ccc(O[C@H]3CN4CCC3CC4)cn2)cc1 ZINC000003942685 534187863 /nfs/dbraw/zinc/18/78/63/534187863.db2.gz NPDLTEZXGWRMLQ-IBGZPJMESA-N 0 3 294.398 3.530 50 0 in-man CHAAHN CCc1ccc([C@H](C)NCc2cccc(O)c2)cc1 ZINC000034992694 566844221 /nfs/dbraw/zinc/84/42/21/566844221.db2.gz PAUFDTIRFCOIDA-ZDUSSCGKSA-N 0 3 255.361 3.805 50 0 CHAAHN Cc1ccc(C)c(NC(=O)[C@H](NC(C)C)c2ccccc2)c1 ZINC000003413934 566848858 /nfs/dbraw/zinc/84/88/58/566848858.db2.gz HKEUSTHPWBAXDQ-GOSISDBHSA-N 0 3 296.414 3.981 50 0 CHAAHN C[C@H](c1cccc(Cl)c1)N1CCN2CCCC[C@@H]2C1 ZINC000093952504 566881959 /nfs/dbraw/zinc/88/19/59/566881959.db2.gz OXRRHZUMZJTZFD-CZUORRHYSA-N 0 3 278.827 3.571 50 0 CHAAHN c1ccc(C(OCCN2CCCC2)c2ccccc2)cc1 ZINC000033856899 566893208 /nfs/dbraw/zinc/89/32/08/566893208.db2.gz TVHMTKGECLFVJE-UHFFFAOYSA-N 0 3 281.399 3.888 50 0 CHAAHN COc1cc2c(cc1OC)C(C)(C)CN[C@@H]2c1ccccc1 ZINC000041498076 566897756 /nfs/dbraw/zinc/89/77/56/566897756.db2.gz CSBSKOYHZJQRMM-GOSISDBHSA-N 0 3 297.398 3.674 50 0 CHAAHN COC(=O)C[C@H](C)N(Cc1ccccc1)Cc1ccccc1 ZINC000097844350 566916802 /nfs/dbraw/zinc/91/68/02/566916802.db2.gz WLFQLYRDPDIREX-INIZCTEOSA-N 0 3 297.398 3.640 50 0 CHAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1C ZINC000003736575 566933362 /nfs/dbraw/zinc/93/33/62/566933362.db2.gz GTGBFYKASMCWBS-SFHVURJKSA-N 0 3 292.382 3.720 50 0 CHAAHN c1csc(C2CCN(Cc3ccccn3)CC2)c1 ZINC000575604114 566943928 /nfs/dbraw/zinc/94/39/28/566943928.db2.gz QUICIYWOBQDNSG-UHFFFAOYSA-N 0 3 258.390 3.523 50 0 CHAAHN OCCN(Cc1csc2ccccc12)Cc1ccccc1 ZINC000075279510 566940815 /nfs/dbraw/zinc/94/08/15/566940815.db2.gz VXFLMHJFLRUDTR-UHFFFAOYSA-N 0 3 297.423 3.896 50 0 CHAAHN c1nn(-c2ccccc2)cc1CN[C@@H]1CCc2ccccc21 ZINC000053602532 566943737 /nfs/dbraw/zinc/94/37/37/566943737.db2.gz PPGXXSWSJITSJG-LJQANCHMSA-N 0 3 289.382 3.649 50 0 CHAAHN C[C@@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)C1 ZINC000239306242 566965717 /nfs/dbraw/zinc/96/57/17/566965717.db2.gz GPNLJAZAPSEYDT-BCDXTJNWSA-N 0 3 267.372 3.603 50 0 CHAAHN CC(C)(O)c1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000193305063 567058339 /nfs/dbraw/zinc/05/83/39/567058339.db2.gz KBNFAQQVJJKJDE-INIZCTEOSA-N 0 3 285.387 3.674 50 0 CHAAHN Cc1ccccc1[C@H](NCc1cnn(C)c1)C(C)(C)C ZINC000080347487 567129770 /nfs/dbraw/zinc/12/97/70/567129770.db2.gz CFEFNAFKVNKKGN-INIZCTEOSA-N 0 3 271.408 3.606 50 0 CHAAHN CC(C)CSC[C@H](C)N[C@H](C)c1ccncc1 ZINC000095419216 567131665 /nfs/dbraw/zinc/13/16/65/567131665.db2.gz JNGLMTALZAJMGS-QWHCGFSZSA-N 0 3 252.427 3.510 50 0 CHAAHN Cc1ccc2c(CN(C)Cc3ccccc3)cc(=O)oc2c1 ZINC000057406051 567156409 /nfs/dbraw/zinc/15/64/09/567156409.db2.gz LIGMMUNUVGGDQE-UHFFFAOYSA-N 0 3 293.366 3.733 50 0 CHAAHN CC(C)c1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 ZINC000000213046 567822438 /nfs/dbraw/zinc/82/24/38/567822438.db2.gz LOTKUUXABDKAIX-OAHLLOKOSA-N 0 3 254.377 3.745 50 0 CHAAHN Fc1ccc(CNCc2cccc(Br)c2)cc1 ZINC000000360327 567826851 /nfs/dbraw/zinc/82/68/51/567826851.db2.gz TWUDJESNPPLFEB-UHFFFAOYSA-N 0 3 294.167 3.878 50 0 CHAAHN c1ccc(CN2CCC(Nc3ccccc3)CC2)cc1 ZINC000000393830 567828616 /nfs/dbraw/zinc/82/86/16/567828616.db2.gz FSXGJIFBTBJMHV-UHFFFAOYSA-N 0 3 266.388 3.763 50 0 in-vitro CHAAHN CCN(CC)CCOC(=O)CCc1cccc2ccccc21 ZINC000002187370 567845283 /nfs/dbraw/zinc/84/52/83/567845283.db2.gz WSYCNOZBOHYBKN-UHFFFAOYSA-N 0 3 299.414 3.657 50 0 CHAAHN Clc1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1 ZINC000002435245 567845765 /nfs/dbraw/zinc/84/57/65/567845765.db2.gz LGJAXSGTPKDJHN-AWEZNQCLSA-N 0 3 291.778 3.869 50 0 CHAAHN CN(C)CCC(=O)c1ccc(-c2cccs2)s1 ZINC000002518852 567847509 /nfs/dbraw/zinc/84/75/09/567847509.db2.gz FUJFRXHAUZNVHX-UHFFFAOYSA-N 0 3 265.403 3.611 50 0 CHAAHN C[C@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1cccc(F)c1 ZINC000003904967 567854196 /nfs/dbraw/zinc/85/41/96/567854196.db2.gz UBNHRPVZGCZIMM-MELADBBJSA-N 0 3 293.382 3.634 50 0 CHAAHN CCCCN(C)Cc1c(C)[nH]c2c(Cl)cccc2c1=O ZINC000004036822 567855168 /nfs/dbraw/zinc/85/51/68/567855168.db2.gz VJBYPCXVFUJTBN-UHFFFAOYSA-N 0 3 292.810 3.722 50 0 CHAAHN CCN1CCC[C@@H](C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000012200637 567862689 /nfs/dbraw/zinc/86/26/89/567862689.db2.gz ONPQTTYHSFYLBK-OAHLLOKOSA-N 0 3 273.420 3.899 50 0 CHAAHN Cc1cccc(CN2CCN(Cc3ccccc3C)CC2)c1 ZINC000019841257 567879383 /nfs/dbraw/zinc/87/93/83/567879383.db2.gz CEQWMOOKWAGFBY-UHFFFAOYSA-N 0 3 294.442 3.621 50 0 CHAAHN Clc1ccc(CCNCc2ccccn2)c(Cl)c1 ZINC000019915994 567879992 /nfs/dbraw/zinc/87/99/92/567879992.db2.gz ANGFWFKEEBOZRS-UHFFFAOYSA-N 0 3 281.186 3.721 50 0 CHAAHN C[C@@H]1CC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000023280493 567881648 /nfs/dbraw/zinc/88/16/48/567881648.db2.gz MUKACTBNOKAZQD-CJNGLKHVSA-N 0 3 278.827 3.651 50 0 CHAAHN CCC(=O)Nc1ccc([C@H](C)NCc2cccs2)cc1 ZINC000030640852 567884799 /nfs/dbraw/zinc/88/47/99/567884799.db2.gz CPRYWINAEVIQTQ-LBPRGKRZSA-N 0 3 288.416 3.947 50 0 CHAAHN C[C@H]1CC[C@@H](N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000000214848 567887445 /nfs/dbraw/zinc/88/74/45/567887445.db2.gz ZRLLHUDFZDCCPR-XJKSGUPXSA-N 0 3 278.827 3.651 50 0 CHAAHN CC(C)(C)CC(C)(C)c1ccc(OC2CNC2)cc1 ZINC000042769991 567891531 /nfs/dbraw/zinc/89/15/31/567891531.db2.gz AMQAEMXSVAJUQV-UHFFFAOYSA-N 0 3 261.409 3.751 50 0 CHAAHN CC[C@H](C)CNCc1ccccc1Br ZINC000042419221 567891686 /nfs/dbraw/zinc/89/16/86/567891686.db2.gz CSENELAXHWXZNX-JTQLQIEISA-N 0 3 256.187 3.585 50 0 CHAAHN c1cc(-c2ccccc2)oc1CNCCOc1ccccn1 ZINC000057353341 567895149 /nfs/dbraw/zinc/89/51/49/567895149.db2.gz MXNUCQWENGRCBP-UHFFFAOYSA-N 0 3 294.354 3.510 50 0 CHAAHN C[C@@H](C1CC1)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000058368365 567896006 /nfs/dbraw/zinc/89/60/06/567896006.db2.gz AKYPDZSMRHUDOV-ZDUSSCGKSA-N 0 3 282.387 3.509 50 0 CHAAHN Cc1ccsc1CN1CCC[C@@H]1c1ccccn1 ZINC000065387432 567898484 /nfs/dbraw/zinc/89/84/84/567898484.db2.gz MBLAOMIEOWHZBV-CQSZACIVSA-N 0 3 258.390 3.789 50 0 CHAAHN C[C@@H](c1ccccn1)N(C)Cc1cn(C)c2ccccc12 ZINC000065432952 567898947 /nfs/dbraw/zinc/89/89/47/567898947.db2.gz ANPURGBUJMGHMF-AWEZNQCLSA-N 0 3 279.387 3.766 50 0 CHAAHN Clc1cccc(CN2CCC3(CCOCC3)CC2)c1 ZINC000097447077 567910365 /nfs/dbraw/zinc/91/03/65/567910365.db2.gz IVGQDWZGZXWYMX-UHFFFAOYSA-N 0 3 279.811 3.733 50 0 CHAAHN CCN(Cc1csc(C(C)=O)c1)[C@H]1CCOC(C)(C)C1 ZINC000097515044 567910667 /nfs/dbraw/zinc/91/06/67/567910667.db2.gz NXZCLCXQRIWUQT-AWEZNQCLSA-N 0 3 295.448 3.730 50 0 CHAAHN CC[C@@H](C)[C@H](C)NCc1nc(-c2cccc(C)c2)no1 ZINC000095462641 567915643 /nfs/dbraw/zinc/91/56/43/567915643.db2.gz NPYGPEOXFQQELY-OLZOCXBDSA-N 0 3 273.380 3.569 50 0 CHAAHN Cc1ccsc1CNC[C@H](c1ccco1)N1CCCC1 ZINC000022933771 567948477 /nfs/dbraw/zinc/94/84/77/567948477.db2.gz LPQXNRRIMRXDEP-CQSZACIVSA-N 0 3 290.432 3.576 50 0 CHAAHN COC[C@@H](C)NCc1ccc(-c2cccc(F)c2C)o1 ZINC000225391794 567953399 /nfs/dbraw/zinc/95/33/99/567953399.db2.gz OMZDRPOIGRPMPN-LLVKDONJSA-N 0 3 277.339 3.519 50 0 CHAAHN CO[C@H](c1ccccc1)[C@@H](C)NCc1sc(C)nc1C ZINC000225621955 567954202 /nfs/dbraw/zinc/95/42/02/567954202.db2.gz OTSZKCCKRPYESI-WBMJQRKESA-N 0 3 290.432 3.626 50 0 CHAAHN COCC[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000215848827 570304171 /nfs/dbraw/zinc/30/41/71/570304171.db2.gz ZRFZSHSDZQPUBQ-ICTCPBKTSA-N 0 3 277.383 3.587 50 0 CHAAHN c1ccc(Oc2cccc(CNC[C@H]3CCCO3)c2)cc1 ZINC000000810261 570309722 /nfs/dbraw/zinc/30/97/22/570309722.db2.gz HIQAVZNLSCKULU-GOSISDBHSA-N 0 3 283.371 3.748 50 0 CHAAHN Cc1cccc([C@H](OCCN(C)C)c2ccccc2)c1 ZINC000000377872 570314162 /nfs/dbraw/zinc/31/41/62/570314162.db2.gz VSIVTUKDXUYWPL-GOSISDBHSA-N 0 3 269.388 3.663 50 0 CHAAHN Cc1cnccc1CN(C)Cc1cccc2cccnc21 ZINC000243901461 1121451161 /nfs/dbraw/zinc/45/11/61/1121451161.db2.gz BBRDPXJESAYURH-UHFFFAOYSA-N 0 3 277.371 3.570 50 0 CHAAHN Cc1ccccc1[C@@H](N[C@@H](C)c1cnn(C)c1)C1CC1 ZINC000095967940 185046190 /nfs/dbraw/zinc/04/61/90/185046190.db2.gz BMLPANRPPYCKIC-GUYCJALGSA-N 0 3 269.392 3.530 50 0 CHAAHN C[C@H](NCC[S@@](=O)C(C)(C)C)c1cc2ccccc2o1 ZINC000095968127 185047083 /nfs/dbraw/zinc/04/70/83/185047083.db2.gz GWPVQKBLQIGYOR-YUNKPMOVSA-N 0 3 293.432 3.631 50 0 CHAAHN Cc1ccc([C@H](C)N[C@@H](C)C[C@H](O)c2cccs2)o1 ZINC000097022802 185153479 /nfs/dbraw/zinc/15/34/79/185153479.db2.gz JHFUIFVJLHGYIY-DRZSPHRISA-N 0 3 279.405 3.812 50 0 CHAAHN Cc1sc(C2(N)CCC2)nc1-c1ccccc1F ZINC000122624645 187041753 /nfs/dbraw/zinc/04/17/53/187041753.db2.gz VZHBWIFWJBAXED-UHFFFAOYSA-N 0 3 262.353 3.596 50 0 CHAAHN c1[nH]c2ccccc2c1CCN1Cc2ccccc2C1 ZINC000002006030 169766948 /nfs/dbraw/zinc/76/69/48/169766948.db2.gz DSJXKPWYQOXOQL-UHFFFAOYSA-N 0 3 262.356 3.726 50 0 CHAAHN CC(C)Oc1ccccc1OCCN1CCC[C@H](C)C1 ZINC000004907025 170040206 /nfs/dbraw/zinc/04/02/06/170040206.db2.gz IWWIATSMDAQBPU-HNNXBMFYSA-N 0 3 277.408 3.585 50 0 CHAAHN Cc1ccc(Cl)c(OCCN2CCC[C@H](C)C2)c1 ZINC000004912986 170040681 /nfs/dbraw/zinc/04/06/81/170040681.db2.gz BWBJSROSMCCHNC-ZDUSSCGKSA-N 0 3 267.800 3.759 50 0 CHAAHN CCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000004942946 170043641 /nfs/dbraw/zinc/04/36/41/170043641.db2.gz HRYZQCRCFIDPRZ-UHFFFAOYSA-N 0 3 265.740 3.718 50 0 CHAAHN COc1cc2c(cc1OC)CN([C@@H]1CCC[C@@H](C)C1)CC2 ZINC000004989358 170050183 /nfs/dbraw/zinc/05/01/83/170050183.db2.gz ZQIOKZDDGDLJOJ-CZUORRHYSA-N 0 3 289.419 3.641 50 0 CHAAHN c1ccc(-c2ccc(CN3CCSCC3)cc2)cc1 ZINC000004990092 170050453 /nfs/dbraw/zinc/05/04/53/170050453.db2.gz GONVYAOQFZRFPH-UHFFFAOYSA-N 0 3 269.413 3.902 50 0 CHAAHN CCOc1ccc(CNCc2cccs2)cc1OCC ZINC000005019268 170056801 /nfs/dbraw/zinc/05/68/01/170056801.db2.gz MGPSVJSDKYCWOV-UHFFFAOYSA-N 0 3 291.416 3.835 50 0 CHAAHN CN1C[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000005698964 170130274 /nfs/dbraw/zinc/13/02/74/170130274.db2.gz GWFPZNWTHIITBJ-DLBZAZTESA-N 0 3 299.801 3.868 50 0 CHAAHN CNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000005910041 170153631 /nfs/dbraw/zinc/15/36/31/170153631.db2.gz HOABALJPEVYKLR-UHFFFAOYSA-N 0 3 291.778 3.647 50 0 CHAAHN CCN(Cc1cn2c(n1)nc(C)cc2C)C1CCCCC1 ZINC000006483226 170204730 /nfs/dbraw/zinc/20/47/30/170204730.db2.gz JEIUODWFFTZAGZ-UHFFFAOYSA-N 0 3 286.423 3.501 50 0 CHAAHN Cc1cc2oc(=O)cc(CN3CCC[C@H](C)C3)c2cc1C ZINC000006649635 170222336 /nfs/dbraw/zinc/22/23/36/170222336.db2.gz XDNFGCLPQDYKNR-LBPRGKRZSA-N 0 3 285.387 3.642 50 0 CHAAHN CCN(CC)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717403 170349197 /nfs/dbraw/zinc/34/91/97/170349197.db2.gz MOLBMYOSEHTBNN-UHFFFAOYSA-N 0 3 272.392 3.707 50 0 CHAAHN O=C(Nc1ccccc1F)c1ccc(CN2CCCC2)cc1 ZINC000010334845 170404877 /nfs/dbraw/zinc/40/48/77/170404877.db2.gz UUSGBENBIDFILV-UHFFFAOYSA-N 0 3 298.361 3.674 50 0 CHAAHN COc1ccc(CN[C@@H]2CCCc3ccccc32)cc1O ZINC000020133443 171021059 /nfs/dbraw/zinc/02/10/59/171021059.db2.gz MTWLFDAFSBSZFM-MRXNPFEDSA-N 0 3 283.371 3.568 50 0 CHAAHN Cc1cc(C)c2c(CN3CCCCCC3)cc(=O)oc2c1 ZINC000020344953 171154175 /nfs/dbraw/zinc/15/41/75/171154175.db2.gz YYMAJFGRBBOZPM-UHFFFAOYSA-N 0 3 285.387 3.786 50 0 CHAAHN CCN[C@@H](c1csc2ccccc21)c1cccnc1 ZINC000035555080 172261748 /nfs/dbraw/zinc/26/17/48/172261748.db2.gz ZXCNYYLWJALIOX-MRXNPFEDSA-N 0 3 268.385 3.995 50 0 CHAAHN CCN(Cc1c(C)nn(C)c1Cl)C1CCCCC1 ZINC000037515153 173246491 /nfs/dbraw/zinc/24/64/91/173246491.db2.gz JJOUBDZJAXSOIE-UHFFFAOYSA-N 0 3 269.820 3.537 50 0 CHAAHN Fc1ccc(-c2n[nH]cc2CNCc2cccs2)cc1 ZINC000040477684 174283146 /nfs/dbraw/zinc/28/31/46/174283146.db2.gz QKJFOCMDYBUZRC-UHFFFAOYSA-N 0 3 287.363 3.567 50 0 CHAAHN CC(C)c1nn(C)c(Cl)c1CNCCc1ccccc1 ZINC000069645262 175844496 /nfs/dbraw/zinc/84/44/96/175844496.db2.gz YTDHSAQPSXOGRZ-UHFFFAOYSA-N 0 3 291.826 3.529 50 0 CHAAHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc2ccccc2c1 ZINC000078480262 177344775 /nfs/dbraw/zinc/34/47/75/177344775.db2.gz HHXRFUMFLVTJMJ-SFHVURJKSA-N 0 3 298.430 3.546 50 0 CHAAHN CCN(Cc1ccc(F)cc1F)[C@@H]1CCOC(C)(C)C1 ZINC000289664244 521315342 /nfs/dbraw/zinc/31/53/42/521315342.db2.gz FNNHZMISCWBGTD-CQSZACIVSA-N 0 3 283.362 3.744 50 0 CHAAHN c1cc2c(cccc2-c2ccc(CN3CCCC3)cn2)[nH]1 ZINC000067784702 526439461 /nfs/dbraw/zinc/43/94/61/526439461.db2.gz HLKUYMWFJLREAW-UHFFFAOYSA-N 0 3 277.371 3.826 50 0 CHAAHN CC(C)Cc1cc(CNC2CCCCCC2)no1 ZINC000065381213 567898753 /nfs/dbraw/zinc/89/87/53/567898753.db2.gz UONQBLDXGAXCQF-UHFFFAOYSA-N 0 3 250.386 3.686 50 0 CHAAHN CCNCc1cc(-c2ccc([C@@H](C)CC)cc2)n[nH]1 ZINC000725264785 567923168 /nfs/dbraw/zinc/92/31/68/567923168.db2.gz XANXEHUHIHPXHF-LBPRGKRZSA-N 0 3 257.381 3.700 50 0 CHAAHN CC[C@@H](C)N1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000240936913 566968199 /nfs/dbraw/zinc/96/81/99/566968199.db2.gz SFUWCNMJJPKLAD-CVEARBPZSA-N 0 3 288.435 3.813 50 0 CHAAHN C[C@H](CN(C)Cc1ccccc1)C(=O)c1ccccc1 ZINC000053934924 566970506 /nfs/dbraw/zinc/97/05/06/566970506.db2.gz OIVGLKASIPOPKY-OAHLLOKOSA-N 0 3 267.372 3.637 50 0 CHAAHN CO[C@@H](C)[C@H](C)NCc1ccc(-c2cccc(F)c2C)o1 ZINC000170087977 567006163 /nfs/dbraw/zinc/00/61/63/567006163.db2.gz DLYLPOIEHIYJGC-STQMWFEESA-N 0 3 291.366 3.907 50 0 CHAAHN Cc1noc(C2CCN([C@H]3CCCc4ccccc43)CC2)n1 ZINC000065541139 567009982 /nfs/dbraw/zinc/00/99/82/567009982.db2.gz KVEVTQLHKVUENV-KRWDZBQOSA-N 0 3 297.402 3.635 50 0 CHAAHN Cc1ccc(SCCCN2CCN(C(C)C)CC2)cc1 ZINC000170605504 567013882 /nfs/dbraw/zinc/01/38/82/567013882.db2.gz MHOTXHIEWIWEOL-UHFFFAOYSA-N 0 3 292.492 3.503 50 0 CHAAHN C[C@@H]1CC[C@@H](CNC2(c3ccc(F)cc3F)CCCC2)O1 ZINC000170608593 567014322 /nfs/dbraw/zinc/01/43/22/567014322.db2.gz PVOVHZVENKVSNS-OCCSQVGLSA-N 0 3 295.373 3.891 50 0 CHAAHN C[C@H](NCCc1nc(-c2ccccn2)cs1)c1ccco1 ZINC000090044587 567032069 /nfs/dbraw/zinc/03/20/69/567032069.db2.gz GIAKNMDXUVVXDW-LBPRGKRZSA-N 0 3 299.399 3.691 50 0 CHAAHN C[C@H](N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)c1cnccn1 ZINC000090100484 567033868 /nfs/dbraw/zinc/03/38/68/567033868.db2.gz RNEWVPWFYIIHIL-APHBMKBZSA-N 0 3 285.366 3.603 50 0 CHAAHN CCCN[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000018937923 567062906 /nfs/dbraw/zinc/06/29/06/567062906.db2.gz WHXHLSDRIXDECB-QGZVFWFLSA-N 0 3 282.387 3.674 50 0 CHAAHN CCN(C)Cc1cncc(-c2cc(C)cc(C)c2)c1 ZINC000037554027 567068509 /nfs/dbraw/zinc/06/85/09/567068509.db2.gz KAWVJJWMHTUKSH-UHFFFAOYSA-N 0 3 254.377 3.817 50 0 CHAAHN CN(CC[C@@H]1CC1(F)F)Cc1cc(-c2ccccc2)n[nH]1 ZINC000670446661 567178486 /nfs/dbraw/zinc/17/84/86/567178486.db2.gz ZEKCGUJIDQIRQC-CYBMUJFWSA-N 0 3 291.345 3.554 50 0 CHAAHN Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1 ZINC000000155269 567820812 /nfs/dbraw/zinc/82/08/12/567820812.db2.gz QVYRGXJJSLMXQH-SFHVURJKSA-N 0 3 269.388 3.663 50 0 fda CHAAHN C[C@H](CN1CCCC1)OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000210658 567822634 /nfs/dbraw/zinc/82/26/34/567822634.db2.gz AXRAWKAINQRNFO-CQSZACIVSA-N 0 3 289.419 3.625 50 0 CHAAHN CCOC(=O)C1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000000240872 567822826 /nfs/dbraw/zinc/82/28/26/567822826.db2.gz QMABPSHLNSASFK-UHFFFAOYSA-N 0 3 297.398 3.615 50 0 CHAAHN COc1cccc(CN[C@@H]2CCCc3ccccc32)c1 ZINC000000263010 567823318 /nfs/dbraw/zinc/82/33/18/567823318.db2.gz SXHRESMDGYRFLU-GOSISDBHSA-N 0 3 267.372 3.862 50 0 CHAAHN CNCc1ccccc1Sc1ccc(OC)c(OC)c1 ZINC000000347785 567826238 /nfs/dbraw/zinc/82/62/38/567826238.db2.gz RWAFMDVIGYZXSU-UHFFFAOYSA-N 0 3 289.400 3.574 50 0 CHAAHN CN1CCC2=C(C1)[C@@H](c1ccccc1)c1ccccc12 ZINC000000968338 567835386 /nfs/dbraw/zinc/83/53/86/567835386.db2.gz ISFHAYSTHMVOJR-IBGZPJMESA-N 0 3 261.368 3.921 50 0 world CHAAHN O=C(CCN1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000096028064 567843021 /nfs/dbraw/zinc/84/30/21/567843021.db2.gz JVOOBTXSGGIGJH-UHFFFAOYSA-N 0 3 285.431 3.944 50 0 CHAAHN O=C(c1ccc(CN2CCCC2)cc1)C1CCCC1 ZINC000002514594 567846286 /nfs/dbraw/zinc/84/62/86/567846286.db2.gz NOUVGCIXNZPDQK-UHFFFAOYSA-N 0 3 257.377 3.655 50 0 CHAAHN CC(C)OCCCNCc1cccc(Cl)c1Cl ZINC000002598912 567848710 /nfs/dbraw/zinc/84/87/10/567848710.db2.gz DYGKGAHFAZYCOE-UHFFFAOYSA-N 0 3 276.207 3.898 50 0 CHAAHN Cc1ccc(C)c(NC(=O)CCN(C)Cc2ccccc2)c1 ZINC000002760774 567849257 /nfs/dbraw/zinc/84/92/57/567849257.db2.gz YHOPAKGYXZDCID-UHFFFAOYSA-N 0 3 296.414 3.764 50 0 CHAAHN C[C@@H]1CN(C2CCC(C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000003683637 567853522 /nfs/dbraw/zinc/85/35/22/567853522.db2.gz OWBYPXYTTWMOTK-LMRVLLHPSA-N 0 3 253.430 3.701 50 0 CHAAHN C[C@@H]1CCCN(CCOCCSc2ccccc2)C1 ZINC000004568465 567858159 /nfs/dbraw/zinc/85/81/59/567858159.db2.gz GTDGCZAGEYQBAY-OAHLLOKOSA-N 0 3 279.449 3.527 50 0 CHAAHN CNCc1c(F)cccc1Oc1ccc(Cl)cc1 ZINC000012359664 567862548 /nfs/dbraw/zinc/86/25/48/567862548.db2.gz BODUZKATGHNYGG-UHFFFAOYSA-N 0 3 265.715 3.991 50 0 CHAAHN Cc1ccc2c(c1)[C@H](c1ccc(Cl)cc1)NCC2 ZINC000019625122 567878203 /nfs/dbraw/zinc/87/82/03/567878203.db2.gz CXXYKWRMHXRPEB-INIZCTEOSA-N 0 3 257.764 3.884 50 0 CHAAHN COc1ccc(CNCc2cccc(OC(C)C)c2)cc1 ZINC000019737655 567878314 /nfs/dbraw/zinc/87/83/14/567878314.db2.gz JIDKNSYALTVJGU-UHFFFAOYSA-N 0 3 285.387 3.772 50 0 CHAAHN Cc1ccc(CN2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000019841268 567879305 /nfs/dbraw/zinc/87/93/05/567879305.db2.gz MDHYKAYOOABKNV-UHFFFAOYSA-N 0 3 294.442 3.621 50 0 CHAAHN Cc1ncccc1CN1CCC(Cc2ccccc2F)CC1 ZINC000019812863 567879347 /nfs/dbraw/zinc/87/93/47/567879347.db2.gz QTDNYYTZZBJDLI-UHFFFAOYSA-N 0 3 298.405 3.984 50 0 CHAAHN Cc1cccc(CN2CCN(C3CCC(C)CC3)CC2)c1 ZINC000019789462 567879393 /nfs/dbraw/zinc/87/93/93/567879393.db2.gz FMQNAODKZJTOFW-UHFFFAOYSA-N 0 3 286.463 3.691 50 0 CHAAHN C[C@H]1CN(CCCCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000020118089 567880782 /nfs/dbraw/zinc/88/07/82/567880782.db2.gz LXEXTDQLQRFWCC-KBPBESRZSA-N 0 3 297.826 3.608 50 0 CHAAHN COC(=O)c1ccc(CN(C)[C@@H]2CCc3ccccc32)cc1 ZINC000029811083 567884234 /nfs/dbraw/zinc/88/42/34/567884234.db2.gz HDZHSFJQXXIVIO-GOSISDBHSA-N 0 3 295.382 3.593 50 0 CHAAHN O[C@]12CCCC[C@H]1[C@H](c1ccccc1C(F)(F)F)NCC2 ZINC000043157567 567888602 /nfs/dbraw/zinc/88/86/02/567888602.db2.gz BPSBHMXEIGURBC-KKUMJFAQSA-N 0 3 299.336 3.661 50 0 CHAAHN c1ccc2oc([C@H]3CCCN(Cc4cccnc4)C3)nc2c1 ZINC000029832955 567894704 /nfs/dbraw/zinc/89/47/04/567894704.db2.gz SGICBQFPSWPUSF-HNNXBMFYSA-N 0 3 293.370 3.602 50 0 CHAAHN C[C@@H]1CCC[C@H]2CCCN(CC(=O)Nc3ccccc3)[C@H]12 ZINC000058081628 567895305 /nfs/dbraw/zinc/89/53/05/567895305.db2.gz RQMKDTOHBAISKM-RVKKMQEKSA-N 0 3 286.419 3.526 50 0 CHAAHN C[C@@H]1CCC[C@@H]2CCCN(CC(=O)Nc3ccccc3)[C@H]12 ZINC000058081639 567895557 /nfs/dbraw/zinc/89/55/57/567895557.db2.gz RQMKDTOHBAISKM-IIDMSEBBSA-N 0 3 286.419 3.526 50 0 CHAAHN CNCc1cc(/C=C/c2ccccc2)ccc1OC ZINC000067740328 567900089 /nfs/dbraw/zinc/90/00/89/567900089.db2.gz DACJIUKUWZKIJJ-CMDGGOBGSA-N 0 3 253.345 3.585 50 0 CHAAHN Fc1ccccc1-c1noc2c1CN(CC1CCC1)CC2 ZINC000067855511 567900438 /nfs/dbraw/zinc/90/04/38/567900438.db2.gz JXZNGGCRLOBLEB-UHFFFAOYSA-N 0 3 286.350 3.639 50 0 CHAAHN Fc1cccc(OC[C@H]2CCCN(c3ccncc3)C2)c1 ZINC000077425637 567905550 /nfs/dbraw/zinc/90/55/50/567905550.db2.gz UWSPXUDICJSICI-AWEZNQCLSA-N 0 3 286.350 3.516 50 0 CHAAHN Cc1cccc(C)c1OCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000016247471 567908467 /nfs/dbraw/zinc/90/84/67/567908467.db2.gz QTZNHESGTDJNRS-CALCHBBNSA-N 0 3 291.435 3.572 50 0 CHAAHN c1ccc2c(c1)oc1c2cccc1-c1nc2c([nH]1)CNCC2 ZINC000095376537 567909575 /nfs/dbraw/zinc/90/95/75/567909575.db2.gz WOMXOUHRWVSYAC-UHFFFAOYSA-N 0 3 289.338 3.622 50 0 CHAAHN c1cn(CC2CCN(Cc3cc4ccccc4o3)CC2)cn1 ZINC000097259230 567910663 /nfs/dbraw/zinc/91/06/63/567910663.db2.gz NIMHVZHBPGPAAB-UHFFFAOYSA-N 0 3 295.386 3.542 50 0 CHAAHN Clc1cccc(Cl)c1CN1CC(N2CCCCC2)C1 ZINC000097638105 567910875 /nfs/dbraw/zinc/91/08/75/567910875.db2.gz BFPUKJCLVFBMGP-UHFFFAOYSA-N 0 3 299.245 3.664 50 0 CHAAHN CSc1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC000097823204 567911379 /nfs/dbraw/zinc/91/13/79/567911379.db2.gz AHKYFPWOPWAPEZ-HNNXBMFYSA-N 0 3 299.443 3.578 50 0 CHAAHN C[C@H](CCNC1c2ccccc2-c2ccccc21)[S@](C)=O ZINC000166254097 567927427 /nfs/dbraw/zinc/92/74/27/567927427.db2.gz NFCZDHZGDPELJN-LRTDBIEQSA-N 0 3 299.439 3.503 50 0 CHAAHN COC[C@H](C)NCc1ccc(-c2cccc(F)c2C)o1 ZINC000225391832 567953239 /nfs/dbraw/zinc/95/32/39/567953239.db2.gz OMZDRPOIGRPMPN-NSHDSACASA-N 0 3 277.339 3.519 50 0 CHAAHN COc1ccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000028924797 567953936 /nfs/dbraw/zinc/95/39/36/567953936.db2.gz GPNBUYXFARTQBX-ZDUSSCGKSA-N 0 3 298.386 3.504 50 0 CHAAHN CCc1ccccc1NC(=O)CN(C)C[C@@H](C)CC(C)C ZINC000225626136 567954217 /nfs/dbraw/zinc/95/42/17/567954217.db2.gz DHUUFUYVSXATHV-HNNXBMFYSA-N 0 3 290.451 3.802 50 0 CHAAHN CC(C)OC(=O)[C@H](CNCc1ccccc1)c1ccccc1 ZINC000071772776 570234195 /nfs/dbraw/zinc/23/41/95/570234195.db2.gz YKXHQDXZXHMPTN-GOSISDBHSA-N 0 3 297.398 3.512 50 0 CHAAHN CCc1ccc(CN(CC)Cc2ccc(OC)c(O)c2)cc1 ZINC000055153752 570241284 /nfs/dbraw/zinc/24/12/84/570241284.db2.gz ICWWEXIECMEDDY-UHFFFAOYSA-N 0 3 299.414 3.985 50 0 CHAAHN CCOc1ccc(/N=c2/ccc3ccccc3n2C)cc1 ZINC000100294101 570266699 /nfs/dbraw/zinc/26/66/99/570266699.db2.gz DNKPFZQTBGABNV-HNENSFHCSA-N 0 3 278.355 3.809 50 0 CHAAHN Cc1nc[nH]c1CN1CCC[C@H](CCc2ccccc2)C1 ZINC000012445319 570319377 /nfs/dbraw/zinc/31/93/77/570319377.db2.gz DKMSTILZLFPFPQ-QGZVFWFLSA-N 0 3 283.419 3.563 50 0 CHAAHN CN(CCOc1ccccc1)[C@@H](c1ccccn1)C1CC1 ZINC000244874616 570321338 /nfs/dbraw/zinc/32/13/38/570321338.db2.gz XEKRCBFQOXGOSL-GOSISDBHSA-N 0 3 282.387 3.544 50 0 CHAAHN c1ccc2nc(SCCN3CCCCC3)ccc2c1 ZINC000016649649 570334476 /nfs/dbraw/zinc/33/44/76/570334476.db2.gz KRKGWPADWXMPMO-UHFFFAOYSA-N 0 3 272.417 3.813 50 0 CHAAHN Cc1cnc([C@H](N[C@@H](C)CC2CC2)C2CC2)s1 ZINC000089702392 570368113 /nfs/dbraw/zinc/36/81/13/570368113.db2.gz ZIJNHJWXOBVNAI-TVQRCGJNSA-N 0 3 250.411 3.681 50 0 CHAAHN C[C@H]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000000280004 570382934 /nfs/dbraw/zinc/38/29/34/570382934.db2.gz XGRCNMHFPNLYAF-GJZGRUSLSA-N 0 3 276.399 3.526 50 0 CHAAHN FC(F)(F)c1cccc([C@@H]2CNC3(CCCC3)CO2)c1 ZINC000053068179 1118457128 /nfs/dbraw/zinc/45/71/28/1118457128.db2.gz CKFGMBPAJAMQJI-ZDUSSCGKSA-N 0 3 285.309 3.679 50 0 CHAAHN COc1ccc([C@H](NCc2cccc(O)c2)C2CC2)cc1 ZINC000073053011 1119143736 /nfs/dbraw/zinc/14/37/36/1119143736.db2.gz NSHGQAZBDXWKSZ-GOSISDBHSA-N 0 3 283.371 3.642 50 0 CHAAHN Cc1n[nH]cc1CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000038011490 1121917243 /nfs/dbraw/zinc/91/72/43/1121917243.db2.gz FRYIDMLWNUFKKQ-OAHLLOKOSA-N 0 3 275.783 3.612 50 0 CHAAHN Cc1ccc(C(c2ccc(C)cc2)N2CCC[C@H]2O)cc1 ZINC000142493223 1122441522 /nfs/dbraw/zinc/44/15/22/1122441522.db2.gz OJVQTPHTCZUEFO-GOSISDBHSA-N 0 3 281.399 3.807 50 0 CHAAHN O[C@@H](c1cccs1)C1CCN(Cc2cccs2)CC1 ZINC000952968332 1132018668 /nfs/dbraw/zinc/01/86/68/1132018668.db2.gz KXAFCOSRZCKOHJ-OAHLLOKOSA-N 0 3 293.457 3.755 50 0 CHAAHN C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000095968123 185046469 /nfs/dbraw/zinc/04/64/69/185046469.db2.gz AJWXTGBRHMKPDP-VOJFVSQTSA-N 0 3 287.856 3.538 50 0 CHAAHN CC[C@H](C)N1CCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000004893740 529696095 /nfs/dbraw/zinc/69/60/95/529696095.db2.gz SFUWCNMJJPKLAD-JKSUJKDBSA-N 0 3 288.435 3.813 50 0 CHAAHN CC[C@H](N)C(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000155459751 188207350 /nfs/dbraw/zinc/20/73/50/188207350.db2.gz XCFJBCVSMVGXHZ-UGSOOPFHSA-N 0 3 296.414 3.629 50 0 CHAAHN CC(C)c1noc([C@H]2CCCN(Cc3ccsc3)C2)n1 ZINC000215380548 189694175 /nfs/dbraw/zinc/69/41/75/189694175.db2.gz IENCTNHKIATMOY-ZDUSSCGKSA-N 0 3 291.420 3.634 50 0 CHAAHN CCOc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000004977467 170048181 /nfs/dbraw/zinc/04/81/81/170048181.db2.gz LJPCMXXHLBHZSR-UHFFFAOYSA-N 0 3 267.372 3.644 50 0 CHAAHN N[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000005019531 170056440 /nfs/dbraw/zinc/05/64/40/170056440.db2.gz ZQNFUXDRYQQYAQ-LJQANCHMSA-N 0 3 289.378 3.623 50 0 CHAAHN CCOc1ccccc1OC[C@@H](CN(C)C)c1ccccc1 ZINC000005476090 170102856 /nfs/dbraw/zinc/10/28/56/170102856.db2.gz GOQNZYYJEHRBJM-QGZVFWFLSA-N 0 3 299.414 3.810 50 0 CHAAHN CC[C@@H](C)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008344394 170332495 /nfs/dbraw/zinc/33/24/95/170332495.db2.gz MTUFDDWMNDOBEV-BDAKNGLRSA-N 0 3 289.206 3.709 50 0 CHAAHN CCCCN(CC)Cc1c(C)[nH]c2ccccc2c1=O ZINC000008578994 170341832 /nfs/dbraw/zinc/34/18/32/170341832.db2.gz VASILJCGVSFSMZ-UHFFFAOYSA-N 0 3 272.392 3.871 50 0 biogenic CHAAHN CCN(CC)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008714057 170348416 /nfs/dbraw/zinc/34/84/16/170348416.db2.gz JZXISLMWJPOVMP-UHFFFAOYSA-N 0 3 272.392 3.707 50 0 CHAAHN Fc1ccc(-c2n[nH]cc2CNCc2ccccc2)cc1 ZINC000010003126 170394934 /nfs/dbraw/zinc/39/49/34/170394934.db2.gz PTUKVEWJQDOHFT-UHFFFAOYSA-N 0 3 281.334 3.506 50 0 CHAAHN Fc1ccc(CNCCc2c[nH]c3ccccc23)c(F)c1 ZINC000020122471 171002757 /nfs/dbraw/zinc/00/27/57/171002757.db2.gz CLNQFQAVUSXFLU-UHFFFAOYSA-N 0 3 286.325 3.778 50 0 CHAAHN CC(C)CCOc1ccc(CNCc2cccnc2)cc1 ZINC000020141292 171027791 /nfs/dbraw/zinc/02/77/91/171027791.db2.gz UDVKHDSQVVVZJE-UHFFFAOYSA-N 0 3 284.403 3.796 50 0 CHAAHN Cc1ccc(CN2CCC[C@H](N(C)Cc3ccccc3)C2)o1 ZINC000020781565 171272577 /nfs/dbraw/zinc/27/25/77/171272577.db2.gz VTPNQZRQFKQRMO-SFHVURJKSA-N 0 3 298.430 3.684 50 0 CHAAHN N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000022562892 171391117 /nfs/dbraw/zinc/39/11/17/171391117.db2.gz DKVHEFKXNOALTI-AWEZNQCLSA-N 0 3 299.267 3.923 50 0 CHAAHN CCN[C@H](c1csc2ccccc21)c1cccnc1 ZINC000035555077 172261680 /nfs/dbraw/zinc/26/16/80/172261680.db2.gz ZXCNYYLWJALIOX-INIZCTEOSA-N 0 3 268.385 3.995 50 0 CHAAHN CC(C)NCc1ccc(Br)cc1Cl ZINC000037366880 173155966 /nfs/dbraw/zinc/15/59/66/173155966.db2.gz UPGMKSDQNAHMTF-UHFFFAOYSA-N 0 3 262.578 3.601 50 0 CHAAHN CC(C)(C)OCc1cccc(CNCc2cccc(O)c2)c1 ZINC000071854230 176278190 /nfs/dbraw/zinc/27/81/90/176278190.db2.gz SFGWBJNOQODSDM-UHFFFAOYSA-N 0 3 299.414 3.997 50 0 CHAAHN COc1cccc(CN(C)[C@@H](C)c2cccc(OC)c2)c1 ZINC000072277122 176356504 /nfs/dbraw/zinc/35/65/04/176356504.db2.gz TZNZQFRVGHTXTG-AWEZNQCLSA-N 0 3 285.387 3.897 50 0 CHAAHN COCCC[C@@H]1CCCN(Cc2ccc(O)cc2Cl)C1 ZINC000077457477 177271469 /nfs/dbraw/zinc/27/14/69/177271469.db2.gz ADJIZBDKXVJCFT-ZDUSSCGKSA-N 0 3 297.826 3.684 50 0 CHAAHN Cc1cnc([C@H](C)N[C@@H](C)Cc2ccsc2)s1 ZINC000096479076 534657306 /nfs/dbraw/zinc/65/73/06/534657306.db2.gz GYLBFPCIJHFZGC-ONGXEEELSA-N 0 3 266.435 3.795 50 0 CHAAHN O[C@H](CNCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000019872324 526277320 /nfs/dbraw/zinc/27/73/20/526277320.db2.gz PIDCUNKRRFRBPG-GOSISDBHSA-N 0 3 293.366 3.770 50 0 CHAAHN CNCc1cc(F)ccc1Oc1ccc(F)cc1F ZINC000012359660 567862807 /nfs/dbraw/zinc/86/28/07/567862807.db2.gz MFAJRYWQXVCHHW-UHFFFAOYSA-N 0 3 267.250 3.616 50 0 CHAAHN CCOC(=O)CCCCN1CC(C)(C)[C@H]1c1cccs1 ZINC000241383289 566826293 /nfs/dbraw/zinc/82/62/93/566826293.db2.gz MTZMWZZCGMWWRT-OAHLLOKOSA-N 0 3 295.448 3.864 50 0 CHAAHN CCNCc1ccccc1Oc1cccc(OC)c1 ZINC000034664389 566915031 /nfs/dbraw/zinc/91/50/31/566915031.db2.gz WBIZJYQDRORCBH-UHFFFAOYSA-N 0 3 257.333 3.597 50 0 CHAAHN c1ccc(CN2CCC[C@H](Oc3ccccc3)C2)cc1 ZINC000064034271 566952856 /nfs/dbraw/zinc/95/28/56/566952856.db2.gz NKJBWZQGCAPMGQ-SFHVURJKSA-N 0 3 267.372 3.730 50 0 CHAAHN CCOC(=O)C1CCN(C/C=C(\C)CCC=C(C)C)CC1 ZINC000002119388 566974496 /nfs/dbraw/zinc/97/44/96/566974496.db2.gz VYMFWBCQOMPKKK-CXUHLZMHSA-N 0 3 293.451 3.954 50 0 biogenic CHAAHN CC[C@H](C)N(Cc1ccsc1)C[C@H](O)COC(C)(C)C ZINC000036099389 566993900 /nfs/dbraw/zinc/99/39/00/566993900.db2.gz YOFBTXGSANEOPO-ZFWWWQNUSA-N 0 3 299.480 3.525 50 0 CHAAHN CCC[C@H](O)CN(CCC(C)C)Cc1ccc(C)o1 ZINC000036098046 566993973 /nfs/dbraw/zinc/99/39/73/566993973.db2.gz LCZHIGUDUPBNBM-HNNXBMFYSA-N 0 3 267.413 3.597 50 0 CHAAHN Cc1ccc2c(CN3CCC(C)CC3)cc(=O)oc2c1C ZINC000002349935 567100646 /nfs/dbraw/zinc/10/06/46/567100646.db2.gz JCKOVZQVAQMUMJ-UHFFFAOYSA-N 0 3 285.387 3.642 50 0 biogenic CHAAHN COc1ccc(CN[C@@H](C)c2ccc(C)s2)s1 ZINC000095418513 567132097 /nfs/dbraw/zinc/13/20/97/567132097.db2.gz GIKXYOPWYYGJGP-JTQLQIEISA-N 0 3 267.419 3.977 50 0 CHAAHN CC(C)CSC[C@@H](C)N[C@H](C)c1ccncc1 ZINC000095419215 567132292 /nfs/dbraw/zinc/13/22/92/567132292.db2.gz JNGLMTALZAJMGS-CHWSQXEVSA-N 0 3 252.427 3.510 50 0 CHAAHN CCC[C@]12CC[C@H]3c4ccc(O)cc4CCN3[C@@H]1CCC2=O ZINC000096028060 567138895 /nfs/dbraw/zinc/13/88/95/567138895.db2.gz KKAVQDMECOIUDA-SCTDSRPQSA-N 0 3 299.414 3.603 50 0 CHAAHN Cc1ccc(C)c(NC(=O)[C@@H](NC(C)C)c2ccccc2)c1 ZINC000003413937 567171679 /nfs/dbraw/zinc/17/16/79/567171679.db2.gz HKEUSTHPWBAXDQ-SFHVURJKSA-N 0 3 296.414 3.981 50 0 CHAAHN c1coc(-c2ncc(CN3CCC4(CCCC4)C3)cn2)c1 ZINC000670452738 567182182 /nfs/dbraw/zinc/18/21/82/567182182.db2.gz UKLAOCJQTJPIKN-UHFFFAOYSA-N 0 3 283.375 3.503 50 0 CHAAHN Cc1c2ccccc2[nH]c1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000670473775 567197918 /nfs/dbraw/zinc/19/79/18/567197918.db2.gz VCWUUOYXKVWLKF-AWEZNQCLSA-N 0 3 294.402 3.579 50 0 CHAAHN CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000000057127 567817147 /nfs/dbraw/zinc/81/71/47/567817147.db2.gz POTVAILTNPOQJH-UHFFFAOYSA-N 0 3 280.371 3.809 50 0 CHAAHN Cc1c(C)c(C)c(CN2CCSCC2)c(C)c1C ZINC000000140219 567820092 /nfs/dbraw/zinc/82/00/92/567820092.db2.gz YONOEZZTUAGYKJ-UHFFFAOYSA-N 0 3 263.450 3.778 50 0 CHAAHN Cc1cc(C)cc(NC(=O)CCN(C)Cc2ccccc2)c1 ZINC000001178344 567836627 /nfs/dbraw/zinc/83/66/27/567836627.db2.gz QLYXZKMARWFLMN-UHFFFAOYSA-N 0 3 296.414 3.764 50 0 CHAAHN CCCCN(Cc1ccccc1)Cc1cccnc1 ZINC000002498079 567846303 /nfs/dbraw/zinc/84/63/03/567846303.db2.gz OZESSPKOGXSHQU-UHFFFAOYSA-N 0 3 254.377 3.884 50 0 CHAAHN CC(C)[C@@H](N)C(F)(c1ccccc1)c1ccccc1 ZINC000002506631 567846339 /nfs/dbraw/zinc/84/63/39/567846339.db2.gz MJIXRSWLVFUMCB-MRXNPFEDSA-N 0 3 257.352 3.883 50 0 CHAAHN Cc1cccc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)n1 ZINC000012448129 567863537 /nfs/dbraw/zinc/86/35/37/567863537.db2.gz YQAJEANRKGUCNZ-SFHVURJKSA-N 0 3 299.393 3.606 50 0 CHAAHN N#CC1c2ccccc2C=CN1C(=O)C1=CCCCC1 ZINC000000085498 567864341 /nfs/dbraw/zinc/86/43/41/567864341.db2.gz TWPVSKQOCKYSJE-INIZCTEOSA-N 0 3 264.328 3.565 50 0 CHAAHN Fc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000019608349 567878162 /nfs/dbraw/zinc/87/81/62/567878162.db2.gz MQJWUWLVUZGILY-INIZCTEOSA-N 0 3 266.319 3.542 50 0 CHAAHN CCC(CC)NCc1cc(Br)ccc1F ZINC000019883703 567879660 /nfs/dbraw/zinc/87/96/60/567879660.db2.gz FPXIECGHWFXZCV-UHFFFAOYSA-N 0 3 274.177 3.866 50 0 CHAAHN O[C@@H](CNCc1ccccc1C(F)(F)F)c1ccccc1 ZINC000019872043 567879685 /nfs/dbraw/zinc/87/96/85/567879685.db2.gz DAZHQEDFTALLLX-HNNXBMFYSA-N 0 3 295.304 3.529 50 0 CHAAHN N[C@H](c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000019967977 567880560 /nfs/dbraw/zinc/88/05/60/567880560.db2.gz SDMAZUVUXSCFFK-MRXNPFEDSA-N 0 3 289.762 3.549 50 0 CHAAHN C[C@@H]1CN(CCCCOc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000020118086 567880727 /nfs/dbraw/zinc/88/07/27/567880727.db2.gz LXEXTDQLQRFWCC-ZIAGYGMSSA-N 0 3 297.826 3.608 50 0 CHAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cccc(F)c1 ZINC000020081909 567880797 /nfs/dbraw/zinc/88/07/97/567880797.db2.gz FQFZGFYGCVKNLK-KRWDZBQOSA-N 0 3 296.345 3.551 50 0 biogenic,in-vitro CHAAHN Cc1ccccc1[C@@H](NCc1cnn(C)c1)C(C)(C)C ZINC000080347490 567883285 /nfs/dbraw/zinc/88/32/85/567883285.db2.gz CFEFNAFKVNKKGN-MRXNPFEDSA-N 0 3 271.408 3.606 50 0 CHAAHN C[C@@H]1CC[C@H](N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000000214858 567887297 /nfs/dbraw/zinc/88/72/97/567887297.db2.gz ZRLLHUDFZDCCPR-CJNGLKHVSA-N 0 3 278.827 3.651 50 0 CHAAHN C[C@H](Cc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000000182673 567887317 /nfs/dbraw/zinc/88/73/17/567887317.db2.gz UCHLBQBKXVDILA-MRXNPFEDSA-N 0 3 298.405 3.579 50 0 CHAAHN Cc1cccc(N2CCN(CCc3ccccc3)CC2)c1C ZINC000004980512 567888406 /nfs/dbraw/zinc/88/84/06/567888406.db2.gz QMPBAKPCKCRGHI-UHFFFAOYSA-N 0 3 294.442 3.668 50 0 CHAAHN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)N ZINC000040994050 567890779 /nfs/dbraw/zinc/89/07/79/567890779.db2.gz DKIXVPMMJGAICQ-ZETCQYMHSA-N 0 3 297.221 3.901 50 0 CHAAHN CCC(CC)CNCc1ccccc1Br ZINC000042419170 567891507 /nfs/dbraw/zinc/89/15/07/567891507.db2.gz VECFPEDHBPBRQC-UHFFFAOYSA-N 0 3 270.214 3.975 50 0 CHAAHN C[C@H](c1ccccn1)N(C)Cc1cn(C)c2ccccc12 ZINC000065432955 567899337 /nfs/dbraw/zinc/89/93/37/567899337.db2.gz ANPURGBUJMGHMF-CQSZACIVSA-N 0 3 279.387 3.766 50 0 CHAAHN CC[C@H](C)NCc1cc(-c2ccccc2Cl)on1 ZINC000065396531 567899355 /nfs/dbraw/zinc/89/93/55/567899355.db2.gz NOSOIHMGTQTKTA-JTQLQIEISA-N 0 3 264.756 3.883 50 0 CHAAHN Cc1ccc2[nH]c(CN[C@H](C)Cc3cccs3)nc2c1C ZINC000067920152 567901091 /nfs/dbraw/zinc/90/10/91/567901091.db2.gz VJDBMFQARLWHFS-GFCCVEGCSA-N 0 3 299.443 3.962 50 0 CHAAHN Cc1ccc2nc(CN[C@H](C)Cc3cccs3)[nH]c2c1C ZINC000067920152 567901092 /nfs/dbraw/zinc/90/10/92/567901092.db2.gz VJDBMFQARLWHFS-GFCCVEGCSA-N 0 3 299.443 3.962 50 0 CHAAHN CCN(CC)Cc1ccc(Br)c(Cl)c1 ZINC000090413779 567908043 /nfs/dbraw/zinc/90/80/43/567908043.db2.gz MQUUCGVJXCDSDG-UHFFFAOYSA-N 0 3 276.605 3.944 50 0 CHAAHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1ccccc1 ZINC000096318759 567910139 /nfs/dbraw/zinc/91/01/39/567910139.db2.gz DVFVULWSBWKNRS-HDICACEKSA-N 0 3 294.442 3.781 50 0 CHAAHN CCCCCCOc1ccc(-c2nc3c([nH]2)CNCC3)cc1 ZINC000097334240 567910489 /nfs/dbraw/zinc/91/04/89/567910489.db2.gz SJFAEWBBCLBDJN-UHFFFAOYSA-N 0 3 299.418 3.682 50 0 CHAAHN c1ccc(CN2CC=C(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000000197996 567925099 /nfs/dbraw/zinc/92/50/99/567925099.db2.gz WWKHLSANYDLDKY-UHFFFAOYSA-N 0 3 289.382 3.852 50 0 CHAAHN c1ccc(COC[C@@H]2CCCN(Cc3ccccn3)C2)cc1 ZINC000062161956 567932066 /nfs/dbraw/zinc/93/20/66/567932066.db2.gz PUNYGCONFSAWHD-GOSISDBHSA-N 0 3 296.414 3.510 50 0 CHAAHN C[C@H](N)c1cccc(Br)c1OCC(C)(F)F ZINC000585662250 567938829 /nfs/dbraw/zinc/93/88/29/567938829.db2.gz QJEGAWYSFLPVFG-ZETCQYMHSA-N 0 3 294.139 3.503 50 0 CHAAHN Oc1cccc(CN2CCCC[C@H]2CCc2ccccn2)c1 ZINC000216180990 567947567 /nfs/dbraw/zinc/94/75/67/567947567.db2.gz ONEYDGPWAGJMIR-SFHVURJKSA-N 0 3 296.414 3.775 50 0 CHAAHN CCc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)nc1 ZINC000216435742 567947651 /nfs/dbraw/zinc/94/76/51/567947651.db2.gz NAEWZTQYELOOSV-MRXNPFEDSA-N 0 3 284.378 3.773 50 0 CHAAHN COCC[C@H](C)NCc1ccc(-c2cccc(F)c2C)o1 ZINC000225392669 567953304 /nfs/dbraw/zinc/95/33/04/567953304.db2.gz CLEIWPUEFFYQTR-LBPRGKRZSA-N 0 3 291.366 3.909 50 0 CHAAHN O=C(c1cccc(Cl)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000011874456 570220632 /nfs/dbraw/zinc/22/06/32/570220632.db2.gz RXGOVWIQFLQKLY-CYBMUJFWSA-N 0 3 277.795 3.787 50 0 CHAAHN Cc1cc([C@H]2CCCN2Cc2cccc(C)c2)on1 ZINC000052008338 570238592 /nfs/dbraw/zinc/23/85/92/570238592.db2.gz MRWIRYKAMJKMDW-OAHLLOKOSA-N 0 3 256.349 3.629 50 0 CHAAHN CC[C@@H](C)N(Cc1ccsc1)Cc1nc(C)ccc1O ZINC000055089810 570240593 /nfs/dbraw/zinc/24/05/93/570240593.db2.gz QLHNNFLAXNHTBU-CYBMUJFWSA-N 0 3 290.432 3.958 50 0 CHAAHN CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1nc(C)ccc1[O-] ZINC000055089810 570240599 /nfs/dbraw/zinc/24/05/99/570240599.db2.gz QLHNNFLAXNHTBU-CYBMUJFWSA-N 0 3 290.432 3.958 50 0 CHAAHN CC[C@@H](C)[N@@H+](Cc1ccsc1)Cc1nc(C)ccc1[O-] ZINC000055089810 570240602 /nfs/dbraw/zinc/24/06/02/570240602.db2.gz QLHNNFLAXNHTBU-CYBMUJFWSA-N 0 3 290.432 3.958 50 0 CHAAHN CCN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000013940352 570285239 /nfs/dbraw/zinc/28/52/39/570285239.db2.gz VQUZMEVMJDTHHJ-UHFFFAOYSA-N 0 3 285.387 3.726 50 0 CHAAHN Cc1ccccc1[C@H]1CCCN(Cc2cccnc2)C1 ZINC000215532924 570303306 /nfs/dbraw/zinc/30/33/06/570303306.db2.gz YKOLNKUKIPMKQX-KRWDZBQOSA-N 0 3 266.388 3.770 50 0 CHAAHN CNC(=O)c1ccc(CN[C@@H](c2ccccc2)C(C)C)cc1 ZINC000074230034 570338237 /nfs/dbraw/zinc/33/82/37/570338237.db2.gz NMLIOAFOYQHIOH-GOSISDBHSA-N 0 3 296.414 3.533 50 0 CHAAHN COc1cccc(-c2oncc2CN2CCC(C)CC2)c1 ZINC000065288913 570361857 /nfs/dbraw/zinc/36/18/57/570361857.db2.gz CFXGCXSTQOUQNJ-UHFFFAOYSA-N 0 3 286.375 3.582 50 0 CHAAHN Cc1ccc2c(CN3CCCC[C@@H]3C)cc(=O)oc2c1C ZINC000002355063 570390252 /nfs/dbraw/zinc/39/02/52/570390252.db2.gz MEUUBMIEFPFTSQ-ZDUSSCGKSA-N 0 3 285.387 3.784 50 0 CHAAHN Cn1c2ccccc2nc1-c1ccc(CN2CCCCC2)o1 ZINC000002450022 570395697 /nfs/dbraw/zinc/39/56/97/570395697.db2.gz LAZKNAIDXUVRLT-UHFFFAOYSA-N 0 3 295.386 3.819 50 0 CHAAHN CC[C@H](CCO)NCc1ccc(-c2cccc(F)c2C)o1 ZINC000077452803 570405357 /nfs/dbraw/zinc/40/53/57/570405357.db2.gz MNFUDVXKVZVBME-CYBMUJFWSA-N 0 3 291.366 3.645 50 0 CHAAHN CC[C@@H](CO)N(Cc1ccsc1)Cc1sccc1C ZINC000055325618 1125658703 /nfs/dbraw/zinc/65/87/03/1125658703.db2.gz WLZWOGXWZWZGGG-AWEZNQCLSA-N 0 3 295.473 3.891 50 0 CHAAHN Cc1ncsc1CN[C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000863982471 1128709896 /nfs/dbraw/zinc/70/98/96/1128709896.db2.gz OCPLAMBIZVCFPT-NSHDSACASA-N 0 3 290.432 3.530 50 0 CHAAHN c1cc(CN2CCC(Cc3ccccc3)CC2)co1 ZINC000003109300 1119618134 /nfs/dbraw/zinc/61/81/34/1119618134.db2.gz AHXBXBOEHHTUFY-UHFFFAOYSA-N 0 3 255.361 3.734 50 0 CHAAHN Cc1cc(F)ccc1CN1CCC(c2ncco2)CC1 ZINC000585136632 1120532634 /nfs/dbraw/zinc/53/26/34/1120532634.db2.gz NRPGJSCNLQRIOZ-UHFFFAOYSA-N 0 3 274.339 3.502 50 0 CHAAHN CCCC(=O)Nc1ccc(CNCc2ccsc2)cc1 ZINC000047719484 1120794289 /nfs/dbraw/zinc/79/42/89/1120794289.db2.gz IGNFKJLEDYCVNJ-UHFFFAOYSA-N 0 3 288.416 3.777 50 0 CHAAHN CC[C@H]1CN(CC(C)(C)C)Cc2cc(OC)ccc2O1 ZINC000012452643 1121027618 /nfs/dbraw/zinc/02/76/18/1121027618.db2.gz KVWVCYXRKKLTJR-AWEZNQCLSA-N 0 3 277.408 3.714 50 0 CHAAHN O=C(Nc1ccccc1CN1CCCCC1)[C@H]1CC12CCC2 ZINC000827701495 1129362841 /nfs/dbraw/zinc/36/28/41/1129362841.db2.gz AAAHPEXJKFODLR-MRXNPFEDSA-N 0 3 298.430 3.801 50 0 CHAAHN C[C@@H](N[C@@H](C)c1ccc(C(F)F)nc1)c1cc[nH]c(=O)c1 ZINC000658024542 1130675661 /nfs/dbraw/zinc/67/56/61/1130675661.db2.gz YKXVFDCFNRSLQF-ZJUUUORDSA-N 0 3 293.317 3.532 50 0 CHAAHN CC1(CN[C@H](c2ccco2)c2ccccc2)CCOCC1 ZINC000230396162 1132491398 /nfs/dbraw/zinc/49/13/98/1132491398.db2.gz IXCLNJZQFPRADU-KRWDZBQOSA-N 0 3 285.387 3.775 50 0 CHAAHN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000095968124 185046952 /nfs/dbraw/zinc/04/69/52/185046952.db2.gz AJWXTGBRHMKPDP-ZMZPIMSZSA-N 0 3 287.856 3.538 50 0 CHAAHN c1cncc(CN2CCCCC[C@H]2c2ccncc2)c1 ZINC000097000858 185149717 /nfs/dbraw/zinc/14/97/17/185149717.db2.gz HMPDMIAXXZMTHT-KRWDZBQOSA-N 0 3 267.376 3.594 50 0 CHAAHN C[C@@]1(c2ccccc2)CCCN(Cc2cncn2C2CC2)C1 ZINC000091452327 180159509 /nfs/dbraw/zinc/15/95/09/180159509.db2.gz RENXEIQYHBOICP-LJQANCHMSA-N 0 3 295.430 3.772 50 0 CHAAHN CC(C)(CO)[C@@H](NCc1ccc(F)cc1)c1ccccc1 ZINC000225672723 189761362 /nfs/dbraw/zinc/76/13/62/189761362.db2.gz SDJRMRJBRZFRJZ-KRWDZBQOSA-N 0 3 287.378 3.675 50 0 CHAAHN O=C(C[C@H]1C=CCC1)Nc1cccc(CN2CCCCC2)c1 ZINC000048314212 184564431 /nfs/dbraw/zinc/56/44/31/184564431.db2.gz FULGSUWOZWHCCX-INIZCTEOSA-N 0 3 298.430 3.967 50 0 CHAAHN CCOc1ccc(CNCc2ccc(C)cc2)cc1 ZINC000004842593 170029033 /nfs/dbraw/zinc/02/90/33/170029033.db2.gz VAIPLNDPGWDLDW-UHFFFAOYSA-N 0 3 255.361 3.684 50 0 CHAAHN Cc1ccc(C)c(OCCNCc2ccco2)c1Cl ZINC000004842738 170029092 /nfs/dbraw/zinc/02/90/92/170029092.db2.gz IUBNIZAOZYOIGV-UHFFFAOYSA-N 0 3 279.767 3.718 50 0 CHAAHN Cc1ccc(-c2ccc(CNC(C)(C)CO)o2)cc1Cl ZINC000004999756 170052559 /nfs/dbraw/zinc/05/25/59/170052559.db2.gz WQRNEDDRSWAHKA-UHFFFAOYSA-N 0 3 293.794 3.769 50 0 CHAAHN CCCCCCOc1ccc(C(=O)CCN(C)C)cc1 ZINC000006203384 170182430 /nfs/dbraw/zinc/18/24/30/170182430.db2.gz WDKRRLOQDUKDIJ-UHFFFAOYSA-N 0 3 277.408 3.780 50 0 CHAAHN CCOc1ccc(CNCc2ccc(C)cc2)cc1OC ZINC000006697141 170226971 /nfs/dbraw/zinc/22/69/71/170226971.db2.gz SMDLDFXTXZOCOF-UHFFFAOYSA-N 0 3 285.387 3.692 50 0 CHAAHN CC(C)(C)NCC(=O)Nc1ccccc1-c1ccccc1 ZINC000007990223 170312433 /nfs/dbraw/zinc/31/24/33/170312433.db2.gz AZSIORXRELOTTR-UHFFFAOYSA-N 0 3 282.387 3.680 50 0 CHAAHN CCOc1cccc(CN[C@H](C)c2ccccc2)c1 ZINC000008325281 170331519 /nfs/dbraw/zinc/33/15/19/170331519.db2.gz MRVPCJNRVNUKKG-CQSZACIVSA-N 0 3 255.361 3.936 50 0 CHAAHN CCCCN(C)Cc1c(C)[nH]c2c(C)cccc2c1=O ZINC000008700874 170346618 /nfs/dbraw/zinc/34/66/18/170346618.db2.gz CBMTVUUEZSXROF-UHFFFAOYSA-N 0 3 272.392 3.789 50 0 biogenic CHAAHN CCc1cccc2c(=O)c(CN(CC)CC)c(C)[nH]c12 ZINC000009833121 170386522 /nfs/dbraw/zinc/38/65/22/170386522.db2.gz PBSVTZQZFYESAO-UHFFFAOYSA-N 0 3 272.392 3.653 50 0 CHAAHN c1ccc2c(c1)CCN(CCOc1ccc3c(c1)CCC3)C2 ZINC000020323834 171150640 /nfs/dbraw/zinc/15/06/40/171150640.db2.gz IVGAOVKJDHNSMC-UHFFFAOYSA-N 0 3 293.410 3.612 50 0 CHAAHN COc1ccc(CNCc2cccs2)cc1Cl ZINC000020927928 171280329 /nfs/dbraw/zinc/28/03/29/171280329.db2.gz PILBRPUXFLUIML-UHFFFAOYSA-N 0 3 267.781 3.700 50 0 CHAAHN Cc1ccc(-c2nc3ccc(C)cn3c2CN(C)C)cc1 ZINC000022011912 171349228 /nfs/dbraw/zinc/34/92/28/171349228.db2.gz ZKSRNGXLVCJQCC-UHFFFAOYSA-N 0 3 279.387 3.680 50 0 CHAAHN CCC(=O)Nc1ccc([C@@H](C)NCc2ccsc2)cc1 ZINC000030641035 171620047 /nfs/dbraw/zinc/62/00/47/171620047.db2.gz WZIGLMVFPDPIPH-GFCCVEGCSA-N 0 3 288.416 3.947 50 0 CHAAHN Cc1nn(C)c(C)c1[C@@H](C)NCc1cc(C)cc(C)c1 ZINC000071857584 176278745 /nfs/dbraw/zinc/27/87/45/176278745.db2.gz YENNJJKZVXONQV-CYBMUJFWSA-N 0 3 271.408 3.505 50 0 CHAAHN FC(F)(F)c1ccc(CN(C[C@@H]2CCCO2)C2CC2)cc1 ZINC000072274594 176356012 /nfs/dbraw/zinc/35/60/12/176356012.db2.gz MZMBEFHIOIXBJZ-HNNXBMFYSA-N 0 3 299.336 3.849 50 0 CHAAHN CN(Cc1cc(-c2cccnc2)no1)C[C@@H]1CC=CCC1 ZINC000077287597 177249315 /nfs/dbraw/zinc/24/93/15/177249315.db2.gz XEPPTQCOXBVISK-CQSZACIVSA-N 0 3 283.375 3.525 50 0 CHAAHN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H](C)C1 ZINC000007787475 260027966 /nfs/dbraw/zinc/02/79/66/260027966.db2.gz KGAQXFONLOFKIA-CABCVRRESA-N 0 3 296.414 3.899 50 0 CHAAHN CCOc1cc(CN2C[C@H](C)C[C@@H](C)C2)ccc1OC ZINC000023283310 266024191 /nfs/dbraw/zinc/02/41/91/266024191.db2.gz WFGJHTWSAFUEAQ-ZIAGYGMSSA-N 0 3 277.408 3.572 50 0 CHAAHN C[C@H](CC(F)(F)F)NCCOc1cccc2cccnc21 ZINC000534659148 328341880 /nfs/dbraw/zinc/34/18/80/328341880.db2.gz MPYHMAHXBWJYRI-LLVKDONJSA-N 0 3 298.308 3.544 50 0 CHAAHN c1coc(CN2CCC(Cc3ccccc3)CC2)c1 ZINC000003684207 333073562 /nfs/dbraw/zinc/07/35/62/333073562.db2.gz NFDDZQQDKVOONI-UHFFFAOYSA-N 0 3 255.361 3.734 50 0 CHAAHN CSc1ccc(CN[C@@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000019872144 526005156 /nfs/dbraw/zinc/00/51/56/526005156.db2.gz IAOBRCUYXDCAQZ-SUMWQHHRSA-N 0 3 287.428 3.620 50 0 CHAAHN CCCN(Cc1cnc[nH]1)Cc1ccc(SC)cc1 ZINC000055576110 567894415 /nfs/dbraw/zinc/89/44/15/567894415.db2.gz FXYNZHBRXBVYDM-UHFFFAOYSA-N 0 3 275.421 3.544 50 0 CHAAHN CCn1c2ccccc2nc1[C@@H](C)NC1CCSCC1 ZINC000237218119 566843381 /nfs/dbraw/zinc/84/33/81/566843381.db2.gz HONFKDCTEQCKPX-GFCCVEGCSA-N 0 3 289.448 3.602 50 0 CHAAHN CCc1ccc(CN2CCC[C@H](c3n[nH]cc3CC)C2)o1 ZINC000299772620 566854008 /nfs/dbraw/zinc/85/40/08/566854008.db2.gz AGKBCSPILYUEJH-AWEZNQCLSA-N 0 3 287.407 3.507 50 0 CHAAHN c1ccc(SCCN2CCc3ccccc3C2)cc1 ZINC000004472946 566863529 /nfs/dbraw/zinc/86/35/29/566863529.db2.gz VWQFSNFMGSOQIG-UHFFFAOYSA-N 0 3 269.413 3.837 50 0 CHAAHN CCOc1ccccc1OC/C=C/CN1CCCCC1 ZINC000016622678 566875890 /nfs/dbraw/zinc/87/58/90/566875890.db2.gz WYKRMLUOWLJQGR-CMDGGOBGSA-N 0 3 275.392 3.506 50 0 CHAAHN Clc1cnccc1CN1CC[C@H](c2ccccc2)C1 ZINC000075675332 566974964 /nfs/dbraw/zinc/97/49/64/566974964.db2.gz FIHGQVFGNCFHEP-AWEZNQCLSA-N 0 3 272.779 3.725 50 0 CHAAHN CC[C@](C)(NCC[C@@H]1CCCCO1)c1nc(C)cs1 ZINC000170076832 567005882 /nfs/dbraw/zinc/00/58/82/567005882.db2.gz QQIAVNYMQSXZIM-ZFWWWQNUSA-N 0 3 282.453 3.626 50 0 CHAAHN CCOc1cccc(OCCCN(C)Cc2ccccc2)c1 ZINC000002822804 567037096 /nfs/dbraw/zinc/03/70/96/567037096.db2.gz SNOUPDGTZLIMRY-UHFFFAOYSA-N 0 3 299.414 3.986 50 0 CHAAHN C[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccccc1Cl ZINC000095389745 567127605 /nfs/dbraw/zinc/12/76/05/567127605.db2.gz PVWOAYIOLDHXGL-STQMWFEESA-N 0 3 295.810 3.676 50 0 CHAAHN CCO[C@@H]1C[C@@H](N[C@H](c2nccs2)C2CC2)C12CCC2 ZINC000230223174 567160411 /nfs/dbraw/zinc/16/04/11/567160411.db2.gz PGEDMXQKTUGDRT-MCIONIFRSA-N 0 3 292.448 3.532 50 0 CHAAHN CC[C@@H](C(=O)Nc1ccc(CN(C)C)cc1)c1ccccc1 ZINC000029951974 567161416 /nfs/dbraw/zinc/16/14/16/567161416.db2.gz VVOHFVZEJRCXRL-GOSISDBHSA-N 0 3 296.414 3.881 50 0 CHAAHN COCC[C@@H]1CCCN(Cc2sccc2Cl)C1 ZINC000670434626 567164589 /nfs/dbraw/zinc/16/45/89/567164589.db2.gz JCWDPXZLXWWMBW-NSHDSACASA-N 0 3 273.829 3.650 50 0 CHAAHN Cc1ccccc1NC(=O)CN[C@@H]1CCCc2ccccc21 ZINC000003339708 567170122 /nfs/dbraw/zinc/17/01/22/567170122.db2.gz LJAADATYVQDVAG-GOSISDBHSA-N 0 3 294.398 3.601 50 0 CHAAHN Cc1ccc2c(CN3CCC[C@@H](C)C3)cc(=O)oc2c1C ZINC000003564926 567178120 /nfs/dbraw/zinc/17/81/20/567178120.db2.gz KITAMWKRJMWJMU-GFCCVEGCSA-N 0 3 285.387 3.642 50 0 CHAAHN CNc1ccc(Cl)cc1[C@@H]1NCCc2ccccc21 ZINC000000056534 567817175 /nfs/dbraw/zinc/81/71/75/567817175.db2.gz XRUIERQCHYNNEP-MRXNPFEDSA-N 0 3 272.779 3.617 50 0 biogenic CHAAHN CN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl ZINC000000057253 567817233 /nfs/dbraw/zinc/81/72/33/567817233.db2.gz WRCHFMBCVFFYEQ-QGZVFWFLSA-N 0 3 289.806 3.528 50 0 fda CHAAHN CCn1c2ccccc2nc1CN(C)C1CCCCC1 ZINC000004386062 567857546 /nfs/dbraw/zinc/85/75/46/567857546.db2.gz PQWDSFXZRGXNHV-UHFFFAOYSA-N 0 3 271.408 3.821 50 0 CHAAHN Cc1cc(C)c(NC(=O)OC[C@@H]2CCCCN2C)c(C)c1 ZINC000004566639 567858175 /nfs/dbraw/zinc/85/81/75/567858175.db2.gz QRGQQZCHPZTODT-HNNXBMFYSA-N 0 3 290.407 3.645 50 0 CHAAHN CCOc1ccc(CNCc2ccc(F)cc2)cc1 ZINC000004657558 567858897 /nfs/dbraw/zinc/85/88/97/567858897.db2.gz KGAJNHXOKGXDCT-UHFFFAOYSA-N 0 3 259.324 3.514 50 0 CHAAHN Cc1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000010371868 567861324 /nfs/dbraw/zinc/86/13/24/567861324.db2.gz XYEXCTUOVVILHY-UHFFFAOYSA-N 0 3 294.398 3.843 50 0 CHAAHN CC[C@@H]1[C@H](O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000013468200 567866188 /nfs/dbraw/zinc/86/61/88/567866188.db2.gz OKNRTYWYWMOJGO-FCGDIQPGSA-N 0 3 281.399 3.849 50 0 CHAAHN Cc1ccc(CN2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000019536770 567878166 /nfs/dbraw/zinc/87/81/66/567878166.db2.gz KCRCSRXSRKWLCT-UHFFFAOYSA-N 0 3 294.442 3.621 50 0 CHAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(F)cc1 ZINC000019702289 567878350 /nfs/dbraw/zinc/87/83/50/567878350.db2.gz XQZPTCJTTCSDTJ-KRWDZBQOSA-N 0 3 296.345 3.551 50 0 biogenic CHAAHN COc1ccc(Cl)cc1CNCCc1ccccc1 ZINC000019872393 567879619 /nfs/dbraw/zinc/87/96/19/567879619.db2.gz GTZZDOCZOUOLEG-UHFFFAOYSA-N 0 3 275.779 3.681 50 0 CHAAHN COc1ccc([C@H](N)c2ccccc2Cl)c(C)c1 ZINC000019972056 567880582 /nfs/dbraw/zinc/88/05/82/567880582.db2.gz YFVMDLXWNUANBF-HNNXBMFYSA-N 0 3 261.752 3.705 50 0 CHAAHN Cc1ccc(OCCCCN2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000020118710 567880730 /nfs/dbraw/zinc/88/07/30/567880730.db2.gz BSCUWRHXLUUACY-IRXDYDNUSA-N 0 3 291.435 3.572 50 0 CHAAHN CCc1ccc(CCCN(C)Cc2cccnc2)cc1 ZINC000020327186 567880911 /nfs/dbraw/zinc/88/09/11/567880911.db2.gz CZQBIMJGPGUBTH-UHFFFAOYSA-N 0 3 268.404 3.709 50 0 CHAAHN Cc1cc2nc(SCCN3CCCCC3)[nH]c2cc1C ZINC000000191587 567887386 /nfs/dbraw/zinc/88/73/86/567887386.db2.gz ZXJAPGRYOGTRHW-UHFFFAOYSA-N 0 3 289.448 3.758 50 0 CHAAHN CCCCNCc1ccc(Br)cc1Cl ZINC000037927311 567890459 /nfs/dbraw/zinc/89/04/59/567890459.db2.gz XETKDVONTKOCAJ-UHFFFAOYSA-N 0 3 276.605 3.992 50 0 CHAAHN Cc1ccc(/C(=C/CN2CCCC2)c2ccccn2)cc1 ZINC000000002227 567890517 /nfs/dbraw/zinc/89/05/17/567890517.db2.gz CBEQULMOCCWAQT-WQRHYEAKSA-N 0 3 278.399 3.918 50 0 in-vitro CHAAHN Cc1ccccc1CNCc1cc2ccccc2[nH]1 ZINC000058474457 567895871 /nfs/dbraw/zinc/89/58/71/567895871.db2.gz XPNRDFRFARTREO-UHFFFAOYSA-N 0 3 250.345 3.766 50 0 CHAAHN Cc1cc(C)n([C@H]2CCN(Cc3cc4ccccc4o3)C2)n1 ZINC000065435942 567898960 /nfs/dbraw/zinc/89/89/60/567898960.db2.gz XBBHMHKTUFGFCD-INIZCTEOSA-N 0 3 295.386 3.693 50 0 CHAAHN Cc1cc(CN2CCCC2)cc(Oc2nc(C)cnc2C)c1 ZINC000067727021 567900237 /nfs/dbraw/zinc/90/02/37/567900237.db2.gz FMSFVXWYKSLAIN-UHFFFAOYSA-N 0 3 297.402 3.790 50 0 CHAAHN C[C@H](c1ccc(-c2nccn2Cc2ccco2)cc1)N(C)C ZINC000067886058 567900520 /nfs/dbraw/zinc/90/05/20/567900520.db2.gz HGOVIVDEWYLDGZ-CQSZACIVSA-N 0 3 295.386 3.814 50 0 CHAAHN c1ccc(COc2cccc(CN3CCCC3)c2)cc1 ZINC000004690749 567901642 /nfs/dbraw/zinc/90/16/42/567901642.db2.gz YESRSHHQZJLXKE-UHFFFAOYSA-N 0 3 267.372 3.861 50 0 CHAAHN Cc1ccc([C@@H](C)CCN2CC(c3cccnc3)C2)o1 ZINC000097757842 567911458 /nfs/dbraw/zinc/91/14/58/567911458.db2.gz NTRAPPXQAQLETD-ZDUSSCGKSA-N 0 3 270.376 3.576 50 0 CHAAHN O[C@H](CNCc1csc2ccccc12)c1ccccc1 ZINC000019924995 567945056 /nfs/dbraw/zinc/94/50/56/567945056.db2.gz MXZJTIDEWVYZLC-MRXNPFEDSA-N 0 3 283.396 3.725 50 0 CHAAHN O[C@@H](CNCc1csc2ccccc12)c1ccccc1 ZINC000019924993 567945114 /nfs/dbraw/zinc/94/51/14/567945114.db2.gz MXZJTIDEWVYZLC-INIZCTEOSA-N 0 3 283.396 3.725 50 0 CHAAHN COc1ccc(CN[C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000028924798 567953913 /nfs/dbraw/zinc/95/39/13/567953913.db2.gz GPNBUYXFARTQBX-CYBMUJFWSA-N 0 3 298.386 3.504 50 0 CHAAHN c1ccc2c(c1)cccc2CNCc1ccc2c(c1)OCO2 ZINC000004685482 570215968 /nfs/dbraw/zinc/21/59/68/570215968.db2.gz RSIPHLXVRPEPPJ-UHFFFAOYSA-N 0 3 291.350 3.858 50 0 CHAAHN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N ZINC000011568418 570219753 /nfs/dbraw/zinc/21/97/53/570219753.db2.gz YGYIXXSODUCIOB-ZETCQYMHSA-N 0 3 252.770 3.792 50 0 CHAAHN C[C@H](C[C@H]1OC[C@@H](CN2CCCCC2)O1)CC(C)(C)C ZINC000013509671 570235365 /nfs/dbraw/zinc/23/53/65/570235365.db2.gz HFXRXQYPTWPANL-OAGGEKHMSA-N 0 3 283.456 3.676 50 0 CHAAHN COc1ccc(CN(C)CC[C@@H]2CCCCO2)cc1Cl ZINC000215457123 570303333 /nfs/dbraw/zinc/30/33/33/570303333.db2.gz NGASUFCSKDZLKY-AWEZNQCLSA-N 0 3 297.826 3.740 50 0 CHAAHN Cc1ccc(CN2CCC(F)(F)CC2)c2cccnc12 ZINC000215699389 570303668 /nfs/dbraw/zinc/30/36/68/570303668.db2.gz RZMIORFPKFQTEC-UHFFFAOYSA-N 0 3 276.330 3.774 50 0 CHAAHN C[C@@H]1CCC[C@H]2CCCN(CC(=O)Nc3ccccc3)[C@@H]12 ZINC000229649323 570316658 /nfs/dbraw/zinc/31/66/58/570316658.db2.gz RQMKDTOHBAISKM-VKJFTORMSA-N 0 3 286.419 3.526 50 0 CHAAHN COc1ccc([C@@H]2CCCN2Cc2ccc(O)cc2)cc1 ZINC000015837062 570344001 /nfs/dbraw/zinc/34/40/01/570344001.db2.gz JZZDDIBDLFLIPU-SFHVURJKSA-N 0 3 283.371 3.738 50 0 CHAAHN C[C@H](NCc1cc[nH]n1)C(c1ccccc1)c1ccccc1 ZINC000089598537 570366558 /nfs/dbraw/zinc/36/65/58/570366558.db2.gz ZJCQVKXFUTZIFN-HNNXBMFYSA-N 0 3 291.398 3.720 50 0 CHAAHN c1ccc(CN2CCCCC[C@@H]2c2ccncc2)nc1 ZINC000095351186 570371810 /nfs/dbraw/zinc/37/18/10/570371810.db2.gz AXNZDEOHWQOCIN-QGZVFWFLSA-N 0 3 267.376 3.594 50 0 CHAAHN C[C@H]1CSc2ccccc2[C@H]1NCc1cccnc1 ZINC000095427021 570371909 /nfs/dbraw/zinc/37/19/09/570371909.db2.gz RACKREXTFQOYNZ-LRDDRELGSA-N 0 3 270.401 3.654 50 0 CHAAHN C[C@@H]1C[C@H](c2ccsc2)CN1Cc1ccncc1 ZINC000095401541 570371921 /nfs/dbraw/zinc/37/19/21/570371921.db2.gz DJPDQXZFCVTWSO-DOMZBBRYSA-N 0 3 258.390 3.521 50 0 CHAAHN Cc1c(F)cccc1-c1ccc(CN[C@H](C)[C@H](C)CO)o1 ZINC000077420741 570404835 /nfs/dbraw/zinc/40/48/35/570404835.db2.gz UHFIKTIOBBEJTC-DGCLKSJQSA-N 0 3 291.366 3.501 50 0 CHAAHN Cc1cc([C@H]2CCCN2Cc2cccc3cccnc32)on1 ZINC000040536470 570412183 /nfs/dbraw/zinc/41/21/83/570412183.db2.gz BGVPXBMUSIYOHI-MRXNPFEDSA-N 0 3 293.370 3.868 50 0 CHAAHN c1coc(CCCN2CCCC[C@@H]2c2ccccn2)c1 ZINC000244659396 1121470004 /nfs/dbraw/zinc/47/00/04/1121470004.db2.gz HBUOCBTVZZUTJW-QGZVFWFLSA-N 0 3 270.376 3.834 50 0 CHAAHN C[C@H](C(=O)Nc1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000229720044 1125306365 /nfs/dbraw/zinc/30/63/65/1125306365.db2.gz HULAMQHRSAXYQB-NVXWUHKLSA-N 0 3 294.398 3.503 50 0 CHAAHN Cc1nc[nH]c1CN(C)C[C@@]1(c2ccccc2)CC1(C)C ZINC000952968053 1132018970 /nfs/dbraw/zinc/01/89/70/1132018970.db2.gz JHDGBRJTQHOVRN-GOSISDBHSA-N 0 3 283.419 3.518 50 0 CHAAHN CCOc1ccc(CNCc2ccc(F)c(C)c2)cc1 ZINC000096996345 185148969 /nfs/dbraw/zinc/14/89/69/185148969.db2.gz DCRHPGCGKFDRPF-UHFFFAOYSA-N 0 3 273.351 3.823 50 0 CHAAHN Cc1ccc([C@H](C)NC[C@H](C)c2c(C)noc2C)o1 ZINC000090727908 180033006 /nfs/dbraw/zinc/03/30/06/180033006.db2.gz QOPZJJRSBOSIGO-ONGXEEELSA-N 0 3 262.353 3.647 50 0 CHAAHN CC(C)C[C@H](NCCc1ccccc1O)c1ccccn1 ZINC000154921649 188169715 /nfs/dbraw/zinc/16/97/15/188169715.db2.gz GPTRCIPXPCDRTF-KRWDZBQOSA-N 0 3 284.403 3.707 50 0 CHAAHN CCC(=O)c1ccccc1OCCCN1CCCCC1 ZINC000004868742 170034227 /nfs/dbraw/zinc/03/42/27/170034227.db2.gz BJCOVAOYOLFQEM-UHFFFAOYSA-N 0 3 275.392 3.534 50 0 CHAAHN CN(CCOc1ccccc1Cl)Cc1ccccc1 ZINC000004907178 170039583 /nfs/dbraw/zinc/03/95/83/170039583.db2.gz OAWYBHWEPXYKHG-UHFFFAOYSA-N 0 3 275.779 3.851 50 0 CHAAHN CN(C)CCOc1ccc(Cl)cc1C(C)(C)C ZINC000004914877 170040654 /nfs/dbraw/zinc/04/06/54/170040654.db2.gz NFGGECACZRICDO-UHFFFAOYSA-N 0 3 255.789 3.578 50 0 CHAAHN Cc1ccc(CNCc2ccccc2N2CCCC2)cc1 ZINC000005701405 170130941 /nfs/dbraw/zinc/13/09/41/170130941.db2.gz USSDRUOGNUJZOF-UHFFFAOYSA-N 0 3 280.415 3.885 50 0 CHAAHN CNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000005910042 170154541 /nfs/dbraw/zinc/15/45/41/170154541.db2.gz OASATMBJKFGJQT-UHFFFAOYSA-N 0 3 261.752 3.638 50 0 CHAAHN CCOCCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000007524385 170288773 /nfs/dbraw/zinc/28/87/73/170288773.db2.gz CMFKZDHKQZOXLZ-UHFFFAOYSA-N 0 3 277.339 3.602 50 0 CHAAHN CC[C@H](C)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008344396 170332467 /nfs/dbraw/zinc/33/24/67/170332467.db2.gz MTUFDDWMNDOBEV-IUCAKERBSA-N 0 3 289.206 3.709 50 0 CHAAHN Cc1[nH]c2ccccc2c(=O)c1CN1CCCCCC1 ZINC000008700830 170346857 /nfs/dbraw/zinc/34/68/57/170346857.db2.gz ZOENMKUBWJAJJO-UHFFFAOYSA-N 0 3 270.376 3.625 50 0 CHAAHN Cc1[nH]c2ccc(F)cc2c(=O)c1CN1CCC[C@H](C)C1 ZINC000008717117 170349337 /nfs/dbraw/zinc/34/93/37/170349337.db2.gz QNCSYIWJDHAUIC-NSHDSACASA-N 0 3 288.366 3.620 50 0 CHAAHN Oc1cccc(CN[C@H]2CCCc3ccccc32)c1 ZINC000020133750 171021824 /nfs/dbraw/zinc/02/18/24/171021824.db2.gz JQDFHMUJLQSCBU-KRWDZBQOSA-N 0 3 253.345 3.559 50 0 CHAAHN CC(C)[C@H](C)NCc1cc(Br)ccc1F ZINC000020305436 171141559 /nfs/dbraw/zinc/14/15/59/171141559.db2.gz KENRIABLUJZXKH-VIFPVBQESA-N 0 3 274.177 3.722 50 0 CHAAHN CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)NCC2 ZINC000020506946 171228637 /nfs/dbraw/zinc/22/86/37/171228637.db2.gz DRUZNOUZPRHPOS-LJQANCHMSA-N 0 3 297.398 3.719 50 0 CHAAHN Clc1ccc(OCCN2CCc3ccccc3C2)cc1 ZINC000022385621 171386293 /nfs/dbraw/zinc/38/62/93/171386293.db2.gz HPJRHECWVIOENY-UHFFFAOYSA-N 0 3 287.790 3.777 50 0 CHAAHN N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000022562895 171391458 /nfs/dbraw/zinc/39/14/58/171391458.db2.gz DKVHEFKXNOALTI-CQSZACIVSA-N 0 3 299.267 3.923 50 0 CHAAHN Cc1ccccc1C(=O)Nc1ccccc1CN1CCCC1 ZINC000040090879 174189158 /nfs/dbraw/zinc/18/91/58/174189158.db2.gz BCLKPZSACTXHMF-UHFFFAOYSA-N 0 3 294.398 3.843 50 0 CHAAHN O=C(Nc1cccc(CN2CCCC2)c1)c1cccc(F)c1 ZINC000058438508 175625899 /nfs/dbraw/zinc/62/58/99/175625899.db2.gz SRNFKRAKLAHKFT-UHFFFAOYSA-N 0 3 298.361 3.674 50 0 CHAAHN CN1CCC(CC(=O)Nc2cccc3ccccc32)CC1 ZINC000071376276 176141114 /nfs/dbraw/zinc/14/11/14/176141114.db2.gz LVNMDZZFIYHEEI-UHFFFAOYSA-N 0 3 282.387 3.510 50 0 CHAAHN Cc1n[nH]cc1CN[C@H](c1ccccc1)C1CCCC1 ZINC000071837237 176274040 /nfs/dbraw/zinc/27/40/40/176274040.db2.gz RCXSZBZXPJCSBY-QGZVFWFLSA-N 0 3 269.392 3.739 50 0 CHAAHN CC[C@H]1CN(c2ccc3ccccc3n2)CCN1C(C)C ZINC000077287691 177249650 /nfs/dbraw/zinc/24/96/50/177249650.db2.gz KGDOGJRMQOZHDQ-INIZCTEOSA-N 0 3 283.419 3.544 50 0 CHAAHN CCOc1cc(CN2C[C@@H](C)C[C@H](C)C2)ccc1OC ZINC000023283312 266024502 /nfs/dbraw/zinc/02/45/02/266024502.db2.gz WFGJHTWSAFUEAQ-KBPBESRZSA-N 0 3 277.408 3.572 50 0 CHAAHN Cc1ccc(C)c([C@@H](NC2CCOCC2)c2cccnc2)c1 ZINC000534587714 328316085 /nfs/dbraw/zinc/31/60/85/328316085.db2.gz RCCJBGXLCMHFNA-IBGZPJMESA-N 0 3 296.414 3.556 50 0 CHAAHN O[C@H](CNCc1ccccc1C(F)(F)F)c1ccccc1 ZINC000019872045 518203580 /nfs/dbraw/zinc/20/35/80/518203580.db2.gz DAZHQEDFTALLLX-OAHLLOKOSA-N 0 3 295.304 3.529 50 0 CHAAHN CCN1CCC[C@H]1CNCc1c(Cl)cccc1Cl ZINC000019366888 567878104 /nfs/dbraw/zinc/87/81/04/567878104.db2.gz CYZZHQYWYYCKCC-NSHDSACASA-N 0 3 287.234 3.567 50 0 CHAAHN CCOC(=O)CCCCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000241383288 566826722 /nfs/dbraw/zinc/82/67/22/566826722.db2.gz MTZMWZZCGMWWRT-HNNXBMFYSA-N 0 3 295.448 3.864 50 0 CHAAHN Cc1cccc(NC(=O)CN([C@@H](C)C2CC2)C2CC2)c1C ZINC000031653730 566842107 /nfs/dbraw/zinc/84/21/07/566842107.db2.gz GSDWQSDWQGUNGT-AWEZNQCLSA-N 0 3 286.419 3.505 50 0 CHAAHN CCc1ccc([C@@H](C)NCc2cccc(O)c2)cc1 ZINC000034992693 566842575 /nfs/dbraw/zinc/84/25/75/566842575.db2.gz PAUFDTIRFCOIDA-CYBMUJFWSA-N 0 3 255.361 3.805 50 0 CHAAHN CN1[C@@H](c2ccccc2)C[C@](C)(O)C[C@H]1c1ccccc1 ZINC000239433770 566966846 /nfs/dbraw/zinc/96/68/46/566966846.db2.gz YKVNCLSIBPRPTL-BWTSREIZSA-N 0 3 281.399 3.946 50 0 CHAAHN C[C@H]1C(O)[C@H](C)[C@H](c2cccs2)N[C@H]1c1cccs1 ZINC000239562559 566966889 /nfs/dbraw/zinc/96/68/89/566966889.db2.gz CPNYMZKNSCYTRC-DMTCVQMQSA-N 0 3 293.457 3.828 50 0 CHAAHN CC1=C(C[C@@H]2NCCc3nc[nH]c32)C(C)(C)CCC1 ZINC000065432236 567008388 /nfs/dbraw/zinc/00/83/88/567008388.db2.gz QAXWIIAKIHFMSV-AWEZNQCLSA-N 0 3 259.397 3.513 50 0 CHAAHN COc1ccc([C@H](NCc2cccnc2)C(C)C)cc1 ZINC000032102291 567187805 /nfs/dbraw/zinc/18/78/05/567187805.db2.gz CMZRPAFWHBYWIY-QGZVFWFLSA-N 0 3 270.376 3.577 50 0 CHAAHN CCOc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000000060359 567817439 /nfs/dbraw/zinc/81/74/39/567817439.db2.gz JLECVQFDYUGISI-GOSISDBHSA-N 0 3 292.382 3.802 50 0 biogenic,in-vitro CHAAHN FC(F)Oc1ccc(NC2=NCCCCC2)cc1 ZINC000000203882 567822141 /nfs/dbraw/zinc/82/21/41/567822141.db2.gz YGIFOAFUINSKEN-UHFFFAOYSA-N 0 3 254.280 3.672 50 0 CHAAHN Clc1ccccc1N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000000277442 567823564 /nfs/dbraw/zinc/82/35/64/567823564.db2.gz OKCMWEYIBWFRTH-HNNXBMFYSA-N 0 3 290.838 3.818 50 0 CHAAHN Cc1ccc(CN2CCN(c3ccccc3C)CC2)cc1 ZINC000000282539 567824105 /nfs/dbraw/zinc/82/41/05/567824105.db2.gz ZYAZZVUWVMLTBW-UHFFFAOYSA-N 0 3 280.415 3.626 50 0 CHAAHN Clc1ccccc1CN1c2ccccc2N2CCN=C12 ZINC000000301939 567824739 /nfs/dbraw/zinc/82/47/39/567824739.db2.gz SCDIPTLCXZNPCQ-UHFFFAOYSA-N 0 3 283.762 3.536 50 0 CHAAHN CN(C)CCOCCOc1ccc(Cl)cc1C(C)(C)C ZINC000002822210 567849410 /nfs/dbraw/zinc/84/94/10/567849410.db2.gz BJOSXOWNVQPBLO-UHFFFAOYSA-N 0 3 299.842 3.595 50 0 CHAAHN Cc1ncc(CN(C)Cc2cc3ccccc3s2)[nH]1 ZINC000584904101 567853587 /nfs/dbraw/zinc/85/35/87/567853587.db2.gz OWDLJXNKEUQWGM-UHFFFAOYSA-N 0 3 271.389 3.565 50 0 CHAAHN NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004283529 567856543 /nfs/dbraw/zinc/85/65/43/567856543.db2.gz BZVJOYBTLHNRDW-UHFFFAOYSA-N 0 3 259.352 3.937 50 0 in-vivo CHAAHN C[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(F)c2)o1 ZINC000097377473 567860355 /nfs/dbraw/zinc/86/03/55/567860355.db2.gz DUBTYBVPTYPING-RISCZKNCSA-N 0 3 289.354 3.544 50 0 CHAAHN CN1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012575647 567863620 /nfs/dbraw/zinc/86/36/20/567863620.db2.gz KHRADFFRCSEJCH-SFHVURJKSA-N 0 3 279.383 3.878 50 0 CHAAHN CC[C@H](C)N[C@H](C)c1ccccc1Br ZINC000019882218 567879805 /nfs/dbraw/zinc/87/98/05/567879805.db2.gz ROSKTXKLTYIKJN-VHSXEESVSA-N 0 3 256.187 3.898 50 0 CHAAHN COCc1ccccc1CN[C@@H](C)c1ccccc1 ZINC000037762681 567880971 /nfs/dbraw/zinc/88/09/71/567880971.db2.gz PKKYPJZXNGODEQ-AWEZNQCLSA-N 0 3 255.361 3.684 50 0 CHAAHN C[C@@H]1CC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000023280487 567881569 /nfs/dbraw/zinc/88/15/69/567881569.db2.gz MUKACTBNOKAZQD-CZUORRHYSA-N 0 3 278.827 3.651 50 0 CHAAHN COC(=O)c1ccc(CN(C)[C@H]2CCc3ccccc32)cc1 ZINC000029811086 567884382 /nfs/dbraw/zinc/88/43/82/567884382.db2.gz HDZHSFJQXXIVIO-SFHVURJKSA-N 0 3 295.382 3.593 50 0 CHAAHN CC[C@@H](COc1ccccn1)NCc1ccc(Cl)cc1 ZINC000041154159 567890976 /nfs/dbraw/zinc/89/09/76/567890976.db2.gz YVMBBVFQOIUZLI-HNNXBMFYSA-N 0 3 290.794 3.682 50 0 CHAAHN CCCCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000060087756 567896874 /nfs/dbraw/zinc/89/68/74/567896874.db2.gz DDFSQLAHAFBWFZ-QGZVFWFLSA-N 0 3 254.377 3.693 50 0 CHAAHN CN(C)Cc1ccc(Oc2nccc3occc32)cc1 ZINC000067726228 567900011 /nfs/dbraw/zinc/90/00/11/567900011.db2.gz JGBBCFUUXOGFPY-UHFFFAOYSA-N 0 3 268.316 3.682 50 0 CHAAHN CCN(Cc1cccc(C(=O)Nc2ccncc2)c1)C(C)C ZINC000067473232 567900278 /nfs/dbraw/zinc/90/02/78/567900278.db2.gz JZQVSNDELJANMU-UHFFFAOYSA-N 0 3 297.402 3.564 50 0 CHAAHN Cc1nc(-c2ccc(CN(C)C)cc2)cc(C(C)C)n1 ZINC000097307510 567910635 /nfs/dbraw/zinc/91/06/35/567910635.db2.gz BUHOJFLXOQROMC-UHFFFAOYSA-N 0 3 269.392 3.637 50 0 CHAAHN C[C@]12CCCCN1CCCc1c3ccccc3[nH]c12 ZINC000000331082 567926645 /nfs/dbraw/zinc/92/66/45/567926645.db2.gz SSVYQKVUSXFNFY-QGZVFWFLSA-N 0 3 254.377 3.815 50 0 biogenic CHAAHN CC(=O)Nc1ccc(CNCc2cccc(Cl)c2)cc1 ZINC000014196413 567942536 /nfs/dbraw/zinc/94/25/36/567942536.db2.gz PRUALMBDURPVLK-UHFFFAOYSA-N 0 3 288.778 3.588 50 0 CHAAHN Cc1ncccc1CN1CCC(Cc2ccccc2)CC1 ZINC000019884250 567945007 /nfs/dbraw/zinc/94/50/07/567945007.db2.gz INWGFECFPHNPMQ-UHFFFAOYSA-N 0 3 280.415 3.845 50 0 CHAAHN COc1ccc(CC[C@@H](C)NCc2ccccc2F)cc1 ZINC000023280904 567948724 /nfs/dbraw/zinc/94/87/24/567948724.db2.gz CQWQMPNHOVSUTC-CQSZACIVSA-N 0 3 287.378 3.945 50 0 CHAAHN COCC[C@@H](C)NCc1ccc(-c2cccc(F)c2C)o1 ZINC000225392633 567953261 /nfs/dbraw/zinc/95/32/61/567953261.db2.gz CLEIWPUEFFYQTR-GFCCVEGCSA-N 0 3 291.366 3.909 50 0 CHAAHN Cn1ncc2c1CCC[C@@H]2NCc1ccc2ccccc2c1 ZINC000030908716 567955364 /nfs/dbraw/zinc/95/53/64/567955364.db2.gz YJGZLJSRMKPPTC-SFHVURJKSA-N 0 3 291.398 3.741 50 0 CHAAHN C/C=C(\C)CN1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000011839363 570220696 /nfs/dbraw/zinc/22/06/96/570220696.db2.gz RUTJARMMUFWHMM-PTJFDQCRSA-N 0 3 280.362 3.807 50 0 CHAAHN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cc2cc(Cl)ccc2o1 ZINC000097370977 570218566 /nfs/dbraw/zinc/21/85/66/570218566.db2.gz CKAXKZTXEDSHQU-COPLHBTASA-N 0 3 291.778 3.674 50 0 CHAAHN O=C(c1cccc(Cl)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000011874457 570220750 /nfs/dbraw/zinc/22/07/50/570220750.db2.gz RXGOVWIQFLQKLY-ZDUSSCGKSA-N 0 3 277.795 3.787 50 0 CHAAHN CCCCN(CCCn1nc(C)cc1C)Cc1ccco1 ZINC000055244706 570242134 /nfs/dbraw/zinc/24/21/34/570242134.db2.gz LSBMTNFNKWLTDD-UHFFFAOYSA-N 0 3 289.423 3.785 50 0 CHAAHN Cc1cc(CN2CCC[C@@H](c3ccccc3)CC2)on1 ZINC000066898251 570245847 /nfs/dbraw/zinc/24/58/47/570245847.db2.gz WKYGYCQWKATKJP-MRXNPFEDSA-N 0 3 270.376 3.753 50 0 CHAAHN Clc1ccc(CN2CCCC[C@H]2CCn2ccnc2)o1 ZINC000215704115 570303596 /nfs/dbraw/zinc/30/35/96/570303596.db2.gz GGMXHWUVDADWEX-ZDUSSCGKSA-N 0 3 293.798 3.574 50 0 CHAAHN CCc1nc(C)c(CN[C@@H](CC)c2cccs2)[nH]1 ZINC000952991153 615737571 /nfs/dbraw/zinc/73/75/71/615737571.db2.gz ZPZHNKHQCMNAOX-NSHDSACASA-N 0 3 263.410 3.583 50 0 CHAAHN CCCN(Cc1cc(C(C)(C)C)[nH]n1)Cc1cccnc1 ZINC000055325789 1125658610 /nfs/dbraw/zinc/65/86/10/1125658610.db2.gz APGPFZKVYCSSKF-UHFFFAOYSA-N 0 3 286.423 3.514 50 0 CHAAHN Cc1ccsc1CN1CCN(c2ccc(C)cc2)CC1 ZINC000055291970 1118476909 /nfs/dbraw/zinc/47/69/09/1118476909.db2.gz XFFNIGNDFRAHHF-UHFFFAOYSA-N 0 3 286.444 3.687 50 0 CHAAHN Cc1ccc(CNCc2c[nH]nc2-c2cccs2)s1 ZINC000047798801 1120796247 /nfs/dbraw/zinc/79/62/47/1120796247.db2.gz QVXPFXZBQLYOST-UHFFFAOYSA-N 0 3 289.429 3.798 50 0 CHAAHN c1ccc(CC2CCN(Cc3ccccn3)CC2)cc1 ZINC000000809975 1120993192 /nfs/dbraw/zinc/99/31/92/1120993192.db2.gz WHTKPPSSWDUXTC-UHFFFAOYSA-N 0 3 266.388 3.536 50 0 CHAAHN Cc1cccc2c1ncc(C)c2N1CC[C@@]2(C1)CCCOC2 ZINC000585082612 1131269454 /nfs/dbraw/zinc/26/94/54/1131269454.db2.gz QLDWXFKBLGQVFG-LJQANCHMSA-N 0 3 296.414 3.859 50 0 CHAAHN C[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)F)nc1 ZINC000658024539 1130675047 /nfs/dbraw/zinc/67/50/47/1130675047.db2.gz YKXVFDCFNRSLQF-VHSXEESVSA-N 0 3 293.317 3.532 50 0 CHAAHN CN1CCN(Cc2cccc3[nH]ccc32)c2ccccc2C1 ZINC000353588034 529774897 /nfs/dbraw/zinc/77/48/97/529774897.db2.gz KPRTYMQQCBKJDU-UHFFFAOYSA-N 0 3 291.398 3.620 50 0 CHAAHN C[C@H](NCCc1c[nH]c2ccccc12)c1nccs1 ZINC000086507935 179303803 /nfs/dbraw/zinc/30/38/03/179303803.db2.gz CFKNXLDTVWWQQG-NSHDSACASA-N 0 3 271.389 3.518 50 0 CHAAHN CCCNCc1c(Cl)cccc1Br ZINC000261494038 190039825 /nfs/dbraw/zinc/03/98/25/190039825.db2.gz OHVDXZVTEGUGII-UHFFFAOYSA-N 0 3 262.578 3.602 50 0 CHAAHN CCc1ccc(C(=O)[C@H](C)CN2CCCCC2)cc1 ZINC000000000250 169502362 /nfs/dbraw/zinc/50/23/62/169502362.db2.gz SQUNAWUMZGQQJD-CQSZACIVSA-N 0 3 259.393 3.554 50 0 world CHAAHN COc1cccc(Oc2ccccc2CN(C)C)c1 ZINC000000346790 169613217 /nfs/dbraw/zinc/61/32/17/169613217.db2.gz VVEVTPYHBGQASR-UHFFFAOYSA-N 0 3 257.333 3.549 50 0 CHAAHN CC[C@H](NCc1cccc(C(=O)NC)c1)c1ccc(C)cc1 ZINC000095420948 184976700 /nfs/dbraw/zinc/97/67/00/184976700.db2.gz MBHZJBASIYFSNG-SFHVURJKSA-N 0 3 296.414 3.596 50 0 CHAAHN Fc1ccccc1N1CCN(CCCc2ccccc2)CC1 ZINC000000278110 134524434 /nfs/dbraw/zinc/52/44/34/134524434.db2.gz IAZJQTIEHDHEQO-UHFFFAOYSA-N 0 3 298.405 3.581 50 0 CHAAHN Cc1ccc(NC(=O)CN(C)C2CCCCC2)cc1Cl ZINC000004952319 170044850 /nfs/dbraw/zinc/04/48/50/170044850.db2.gz BZLVZJUUCWCGBJ-UHFFFAOYSA-N 0 3 294.826 3.851 50 0 CHAAHN CCOc1cc(CN2CCCC[C@H]2CC)ccc1OC ZINC000004988184 170049374 /nfs/dbraw/zinc/04/93/74/170049374.db2.gz WBTWIXVQCKNXGD-OAHLLOKOSA-N 0 3 277.408 3.858 50 0 CHAAHN COc1cc2c(cc1OC)CN([C@@H]1CCC[C@H](C)C1)CC2 ZINC000004989359 170050027 /nfs/dbraw/zinc/05/00/27/170050027.db2.gz ZQIOKZDDGDLJOJ-XJKSGUPXSA-N 0 3 289.419 3.641 50 0 CHAAHN CC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000005163649 170072948 /nfs/dbraw/zinc/07/29/48/170072948.db2.gz TUIGMBIXSCHNOY-UHFFFAOYSA-N 0 3 297.398 3.514 50 0 biogenic CHAAHN CC(C)=CCC[C@H](C)C[C@@H]1OC[C@H](CN2CCCCC2)O1 ZINC000006182931 170181104 /nfs/dbraw/zinc/18/11/04/170181104.db2.gz BABQJPAGASLVKB-OKZBNKHCSA-N 0 3 295.467 3.986 50 0 CHAAHN Cc1ccc2[nH]c(C)c(CN3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008700916 170346613 /nfs/dbraw/zinc/34/66/13/170346613.db2.gz ZPVMQCJVXWHUDI-ZDUSSCGKSA-N 0 3 284.403 3.789 50 0 CHAAHN CN(C)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000020775330 171272328 /nfs/dbraw/zinc/27/23/28/171272328.db2.gz NUZNIAKQNQEVBQ-UHFFFAOYSA-N 0 3 293.370 3.508 50 0 CHAAHN Cc1ccsc1CN1CCC[C@@H]1c1c(C)noc1C ZINC000021720413 171320701 /nfs/dbraw/zinc/32/07/01/171320701.db2.gz XFWJTMCZZXMERQ-CYBMUJFWSA-N 0 3 276.405 3.998 50 0 CHAAHN Cc1noc(C)c1CN[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000035257778 172088616 /nfs/dbraw/zinc/08/86/16/172088616.db2.gz CLNWRRSKWPLHBE-MNOVXSKESA-N 0 3 276.302 3.502 50 0 CHAAHN CC(C)[C@H](NCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000039985617 174181463 /nfs/dbraw/zinc/18/14/63/174181463.db2.gz ANKACNPMXRAYMJ-IBGZPJMESA-N 0 3 297.398 3.945 50 0 CHAAHN CCC(CC)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000040615115 174353705 /nfs/dbraw/zinc/35/37/05/174353705.db2.gz ACFOCIZQXORZLB-KRWDZBQOSA-N 0 3 290.451 3.622 50 0 CHAAHN Fc1ccc([C@@H](NCc2ccncc2)C2CCC2)cc1 ZINC000071857541 176278511 /nfs/dbraw/zinc/27/85/11/176278511.db2.gz QNOBOAKCPQYWBN-KRWDZBQOSA-N 0 3 270.351 3.852 50 0 CHAAHN CN1CCC[C@@H](CSc2nnc(C3CCCCC3)o2)C1 ZINC000071886129 176290000 /nfs/dbraw/zinc/29/00/00/176290000.db2.gz MUDHWSTUTDHBPA-GFCCVEGCSA-N 0 3 295.452 3.551 50 0 CHAAHN Oc1cccc(CC[C@@H]2CCCCN2Cc2cccnc2)c1 ZINC000072133891 176321849 /nfs/dbraw/zinc/32/18/49/176321849.db2.gz PFFKKLQFQJFEQA-SFHVURJKSA-N 0 3 296.414 3.775 50 0 CHAAHN COc1cc(CN(C)Cc2ccc(Cl)cc2)ccc1O ZINC000072272583 176354936 /nfs/dbraw/zinc/35/49/36/176354936.db2.gz IOWQGQUMEKCZMM-UHFFFAOYSA-N 0 3 291.778 3.686 50 0 CHAAHN CC(C)Oc1ccc(CNCc2cccc3[nH]ccc32)cn1 ZINC000236788065 519779737 /nfs/dbraw/zinc/77/97/37/519779737.db2.gz QKDHCHDATQDJQE-UHFFFAOYSA-N 0 3 295.386 3.640 50 0 CHAAHN Fc1cccc(-c2noc3c2CN(CC2CCC2)CC3)c1 ZINC000067872428 526381108 /nfs/dbraw/zinc/38/11/08/526381108.db2.gz APNAAQLIZRFMCZ-UHFFFAOYSA-N 0 3 286.350 3.639 50 0 CHAAHN CCn1c2ccccc2nc1[C@H](C)NC1CCSCC1 ZINC000237223859 566843155 /nfs/dbraw/zinc/84/31/55/566843155.db2.gz HONFKDCTEQCKPX-LBPRGKRZSA-N 0 3 289.448 3.602 50 0 CHAAHN FC(F)(F)[C@@H](CN1CCCCC1)OC1CCCCC1 ZINC000001392942 566868771 /nfs/dbraw/zinc/86/87/71/566868771.db2.gz FSHIPIWVYHEIGI-CYBMUJFWSA-N 0 3 279.346 3.753 50 0 CHAAHN C[C@@H](NCc1cc[nH]n1)C(c1ccccc1)c1ccccc1 ZINC000064621293 566991773 /nfs/dbraw/zinc/99/17/73/566991773.db2.gz ZJCQVKXFUTZIFN-OAHLLOKOSA-N 0 3 291.398 3.720 50 0 CHAAHN CC[C@H](O)CN(Cc1ccccc1)Cc1ccc(C)cc1 ZINC000036101756 566993255 /nfs/dbraw/zinc/99/32/55/566993255.db2.gz FEVSLFPCNNRKPG-IBGZPJMESA-N 0 3 283.415 3.768 50 0 CHAAHN Cc1ccsc1[C@@H](C)NCc1ccc([S@@](C)=O)cc1 ZINC000090221401 567032296 /nfs/dbraw/zinc/03/22/96/567032296.db2.gz CADFGZXNISJCCV-BLVKFPJESA-N 0 3 293.457 3.645 50 0 CHAAHN CC(C)CSC[C@@H](C)N[C@@H](C)c1ccncc1 ZINC000095419213 567131709 /nfs/dbraw/zinc/13/17/09/567131709.db2.gz JNGLMTALZAJMGS-OLZOCXBDSA-N 0 3 252.427 3.510 50 0 CHAAHN COc1cc2c(cc1OC)[C@@H](/C=C/c1ccccc1)NCC2 ZINC000020113675 567125139 /nfs/dbraw/zinc/12/51/39/567125139.db2.gz KGEKIHDPYHWCFB-KBOKABMXSA-N 0 3 295.382 3.604 50 0 biogenic CHAAHN C[C@@H](NCCc1ccccc1)c1cccnc1Cl ZINC000095419228 567132317 /nfs/dbraw/zinc/13/23/17/567132317.db2.gz KLNUOYPEVWTLGB-GFCCVEGCSA-N 0 3 260.768 3.628 50 0 CHAAHN Cc1ccc([C@@H](C)NC2CCN(c3ccc(C)cn3)CC2)o1 ZINC000095968424 567136482 /nfs/dbraw/zinc/13/64/82/567136482.db2.gz XOZDYDXWMSJQLP-OAHLLOKOSA-N 0 3 299.418 3.611 50 0 CHAAHN CC(C)CCNCc1ccccc1Br ZINC000019912177 567879583 /nfs/dbraw/zinc/87/95/83/567879583.db2.gz LYVGTLICXGLZBX-UHFFFAOYSA-N 0 3 256.187 3.585 50 0 CHAAHN CCCCN(C(=O)c1ccccc1)C1=C[C@H]2CC[C@@H](C1)N2C ZINC000002024816 567844205 /nfs/dbraw/zinc/84/42/05/567844205.db2.gz ZHNFHDHZGDOFNK-SJORKVTESA-N 0 3 298.430 3.679 50 0 CHAAHN COc1ccc([C@H](N)c2ccc(Br)cc2)cc1 ZINC000002527486 567847743 /nfs/dbraw/zinc/84/77/43/567847743.db2.gz GSXAISCLDOQZOQ-CQSZACIVSA-N 0 3 292.176 3.506 50 0 CHAAHN c1ccc(CNCc2cccc(Oc3ncccn3)c2)cc1 ZINC000013731515 567867599 /nfs/dbraw/zinc/86/75/99/567867599.db2.gz YADQBWTVIGOQBD-UHFFFAOYSA-N 0 3 291.354 3.559 50 0 CHAAHN COc1ccc2cc(CNCc3cccc(O)c3)ccc2c1 ZINC000032891494 567870529 /nfs/dbraw/zinc/87/05/29/567870529.db2.gz JNZPLUZUVMQXPU-UHFFFAOYSA-N 0 3 293.366 3.844 50 0 CHAAHN CCc1onc(C)c1[C@H]1CCCN1Cc1cccs1 ZINC000015866948 567871631 /nfs/dbraw/zinc/87/16/31/567871631.db2.gz FLEVOTDDAKLIQH-CYBMUJFWSA-N 0 3 276.405 3.944 50 0 CHAAHN Cc1cccc(OCCN2CCC[C@@H]2c2ccccn2)c1 ZINC000019220080 567877187 /nfs/dbraw/zinc/87/71/87/567877187.db2.gz GGHNDQZFMWYFHL-GOSISDBHSA-N 0 3 282.387 3.606 50 0 CHAAHN N[C@H](c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000019415911 567877876 /nfs/dbraw/zinc/87/78/76/567877876.db2.gz YJRJMYZOAPKLFB-CYBMUJFWSA-N 0 3 269.241 3.893 50 0 CHAAHN Fc1ccccc1CNCCc1c[nH]c2ccccc12 ZINC000019720612 567878556 /nfs/dbraw/zinc/87/85/56/567878556.db2.gz FFGOXYDHQFDUBS-UHFFFAOYSA-N 0 3 268.335 3.639 50 0 biogenic CHAAHN C[C@H]1CCC[C@@H](N2CCN(Cc3ccccc3F)CC2)C1 ZINC000019842429 567879099 /nfs/dbraw/zinc/87/90/99/567879099.db2.gz YQJPGSDHPPYAJK-DOTOQJQBSA-N 0 3 290.426 3.522 50 0 CHAAHN Cc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(F)cc1 ZINC000019957863 567879932 /nfs/dbraw/zinc/87/99/32/567879932.db2.gz PGRKEHDQDLLYOH-QGZVFWFLSA-N 0 3 280.346 3.851 50 0 CHAAHN Cc1ccc(CNC[C@@H](c2cccs2)N2CCCC2)o1 ZINC000023257934 567881730 /nfs/dbraw/zinc/88/17/30/567881730.db2.gz ZPLDIBJXBZZPMM-HNNXBMFYSA-N 0 3 290.432 3.576 50 0 CHAAHN CCCN(CCO)Cc1cccc(Oc2ccccc2)c1 ZINC000004989149 567888485 /nfs/dbraw/zinc/88/84/85/567888485.db2.gz QACFCBHXIAUJAM-UHFFFAOYSA-N 0 3 285.387 3.683 50 0 CHAAHN C[C@@H]1CN(C2CCC(c3ccccc3)CC2)C[C@H](C)O1 ZINC000023283000 567888686 /nfs/dbraw/zinc/88/86/86/567888686.db2.gz YWHAEDFZOJVVRV-BXXOZEPKSA-N 0 3 273.420 3.822 50 0 CHAAHN CC(C)CNCc1ccc(Br)cc1Cl ZINC000037927269 567890273 /nfs/dbraw/zinc/89/02/73/567890273.db2.gz FJWSTZJSDQOYIE-UHFFFAOYSA-N 0 3 276.605 3.848 50 0 CHAAHN COC(C)(C)C[C@@H](C)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000067712757 567900272 /nfs/dbraw/zinc/90/02/72/567900272.db2.gz LCHDYXNUZRONQV-SNVBAGLBSA-N 0 3 295.814 3.510 50 0 CHAAHN CN(Cc1c[nH]nc1-c1ccccc1)Cc1ccccc1 ZINC000004678800 567901384 /nfs/dbraw/zinc/90/13/84/567901384.db2.gz VYMBQQUKOQCQCF-UHFFFAOYSA-N 0 3 277.371 3.709 50 0 CHAAHN N[C@H](c1ccccc1Cl)[C@H](N)c1ccccc1Cl ZINC000073629599 567903359 /nfs/dbraw/zinc/90/33/59/567903359.db2.gz BMALUZKOHRPBTN-ZIAGYGMSSA-N 0 3 281.186 3.693 50 0 CHAAHN COc1cc2c(cc1OC)[C@@H](c1ccc(C)cc1C)NCC2 ZINC000000053488 567905887 /nfs/dbraw/zinc/90/58/87/567905887.db2.gz BEOKKQIJBNZWBW-LJQANCHMSA-N 0 3 297.398 3.556 50 0 CHAAHN CC(C)(C)NCc1cc(Cl)ccc1Br ZINC000085219844 567907260 /nfs/dbraw/zinc/90/72/60/567907260.db2.gz LXYMFAYJMOBJLG-UHFFFAOYSA-N 0 3 276.605 3.991 50 0 CHAAHN COc1c(C)cc(-c2ccc(CN3CCCC3)cn2)cc1C ZINC000097463613 567910676 /nfs/dbraw/zinc/91/06/76/567910676.db2.gz YZEFHUBJBYYRBO-UHFFFAOYSA-N 0 3 296.414 3.970 50 0 CHAAHN C[C@@]12CCCCN1CCCc1c3ccccc3[nH]c12 ZINC000000331084 567926731 /nfs/dbraw/zinc/92/67/31/567926731.db2.gz SSVYQKVUSXFNFY-KRWDZBQOSA-N 0 3 254.377 3.815 50 0 CHAAHN COc1ccc(CN(C)[C@@H]2C[C@H]2c2ccccc2)c(OC)c1 ZINC000252537116 567930143 /nfs/dbraw/zinc/93/01/43/567930143.db2.gz KIQHISXRKJPWKZ-ZWKOTPCHSA-N 0 3 297.398 3.692 50 0 CHAAHN c1sc(CNCCc2ccccn2)nc1-c1ccccc1 ZINC000061680726 567931260 /nfs/dbraw/zinc/93/12/60/567931260.db2.gz TYGNDFKKYLLGEL-UHFFFAOYSA-N 0 3 295.411 3.537 50 0 CHAAHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(C(C)C)cc2)C1 ZINC000000238835 567935622 /nfs/dbraw/zinc/93/56/22/567935622.db2.gz MUFRKDZYGUPQFZ-QGZVFWFLSA-N 0 3 289.419 3.585 50 0 CHAAHN CNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000000360074 567935948 /nfs/dbraw/zinc/93/59/48/567935948.db2.gz SXAJNLDRZDCMSG-UHFFFAOYSA-N 0 3 279.742 3.778 50 0 CHAAHN CCC1CCC(N2CCN(Cc3ccccc3)CC2)CC1 ZINC000019608887 567944817 /nfs/dbraw/zinc/94/48/17/567944817.db2.gz MZDDKNFLVZHZCP-UHFFFAOYSA-N 0 3 286.463 3.773 50 0 CHAAHN FC(F)n1ccnc1CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000119191545 570235123 /nfs/dbraw/zinc/23/51/23/570235123.db2.gz VJCFSCNXQDBVIN-UONOGXRCSA-N 0 3 291.345 3.704 50 0 CHAAHN CC(C)CN(C/C=C/c1ccco1)Cc1ccccn1 ZINC000055132889 570241257 /nfs/dbraw/zinc/24/12/57/570241257.db2.gz JKKDJDWENJSBRC-VMPITWQZSA-N 0 3 270.376 3.846 50 0 CHAAHN CCc1ncc(CN2CCC[C@H](c3cccc(C)c3)C2)cn1 ZINC000215176956 570302357 /nfs/dbraw/zinc/30/23/57/570302357.db2.gz XYDPYKPOWZPBCD-SFHVURJKSA-N 0 3 295.430 3.727 50 0 CHAAHN Cc1cnn(CCCN2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000244874500 570321099 /nfs/dbraw/zinc/32/10/99/570321099.db2.gz XCKCJTDIQRMMGS-KRWDZBQOSA-N 0 3 287.382 3.558 50 0 CHAAHN CSc1ccc(CNCc2cccc3c[nH]nc32)cc1 ZINC000084017384 570334140 /nfs/dbraw/zinc/33/41/40/570334140.db2.gz APDAFSJURGATSU-UHFFFAOYSA-N 0 3 283.400 3.575 50 0 CHAAHN Cc1[nH]c2ccc(F)cc2c1CCNCc1ccco1 ZINC000036657776 570361520 /nfs/dbraw/zinc/36/15/20/570361520.db2.gz ODQJVHGHVVRQMH-UHFFFAOYSA-N 0 3 272.323 3.541 50 0 CHAAHN Cc1cnc([C@@H](N[C@@H](C)CC2CC2)C2CC2)s1 ZINC000089702393 570368145 /nfs/dbraw/zinc/36/81/45/570368145.db2.gz ZIJNHJWXOBVNAI-ZANVPECISA-N 0 3 250.411 3.681 50 0 CHAAHN C[C@H](N[C@H]1CCCCc2ccccc21)c1cnn(C)c1 ZINC000095421533 570371817 /nfs/dbraw/zinc/37/18/17/570371817.db2.gz JCRHAKYNJRCVAR-GUYCJALGSA-N 0 3 269.392 3.538 50 0 CHAAHN Cc1cc2oc(=O)cc(CN3CCCCCC3)c2cc1C ZINC000002616638 570396977 /nfs/dbraw/zinc/39/69/77/570396977.db2.gz FLECHRAABWTVQW-UHFFFAOYSA-N 0 3 285.387 3.786 50 0 CHAAHN Cc1ccc2c(CN3CCCCCC3)cc(=O)oc2c1C ZINC000002726646 570398355 /nfs/dbraw/zinc/39/83/55/570398355.db2.gz QRSROKVQOCTOAC-UHFFFAOYSA-N 0 3 285.387 3.786 50 0 CHAAHN CCSc1ccccc1NC(=O)CN(C)C1CCCC1 ZINC000952983624 615364530 /nfs/dbraw/zinc/36/45/30/615364530.db2.gz PVECOBBOJWHZDF-UHFFFAOYSA-N 0 3 292.448 3.612 50 0 CHAAHN