smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1ccc(CN[C@@H](C)c2c(C)nn(C)c2C)cc1Cl ZINC000078553125 202395732 /nfs/dbraw/zinc/39/57/32/202395732.db2.gz ZSZNUWLYTDRZQF-LBPRGKRZSA-N 0 1 333.863 4.106 50 30 EIEAMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1cccc2ccccc21 ZINC000003259934 201562219 /nfs/dbraw/zinc/56/22/19/201562219.db2.gz BCLZKFVTBSVMKN-GOSISDBHSA-N 0 1 339.398 4.145 50 30 aggregator EIEAMN CN(C)[C@H](CNc1oc(-c2cccs2)nc1C#N)c1ccsc1 ZINC000072238589 203184138 /nfs/dbraw/zinc/18/41/38/203184138.db2.gz LSVLSNFKIFJFQA-CYBMUJFWSA-N 0 1 344.465 4.051 50 30 EIEAMN CCC(Nc1cccc(C)c1)=[NH+][N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006394050 520179597 /nfs/dbraw/zinc/17/95/97/520179597.db2.gz HNBJWFBOYNFHCP-UHFFFAOYSA-N 0 1 343.343 4.059 50 30 EIEAMN Cc1ccc(C[C@H](C#N)Sc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000006879658 524668685 /nfs/dbraw/zinc/66/86/85/524668685.db2.gz IANQOVCNFWJSJC-CQSZACIVSA-N 0 1 338.411 4.146 50 30 EIEAMN FC(F)(F)c1ccccc1C=Nn1c(=S)[nH]nc1-c1ccco1 ZINC000001240385 563381067 /nfs/dbraw/zinc/38/10/67/563381067.db2.gz GTDYZFGBEDRRDL-QGMBQPNBSA-N 0 1 338.314 4.102 50 30 EIEAMN Fc1cccc(Cl)c1C=Nn1c(=S)[nH]nc1-c1ccccc1 ZINC000001254515 563381665 /nfs/dbraw/zinc/38/16/65/563381665.db2.gz BOZXHBBXDMIVJD-GIJQJNRQSA-N 0 1 332.791 4.282 50 30 EIEAMN Cc1ccc(/N=C2/NC(=O)C(Cc3ccc(Cl)cc3)S2)cc1 ZINC000017040820 563829795 /nfs/dbraw/zinc/82/97/95/563829795.db2.gz RHFFZUMVAICYEV-HNNXBMFYSA-N 0 1 330.840 4.110 50 30 EIEAMN C#CCCOc1ccc(CN[C@@H](CC)c2nc3ccccc3[nH]2)cc1 ZINC000072310917 563918241 /nfs/dbraw/zinc/91/82/41/563918241.db2.gz GMIUWWQGMZRAQM-SFHVURJKSA-N 0 1 333.435 4.206 50 30 EIEAMN N#CC(C#N)[C@H](c1c(=O)[nH][nH]c1-c1ccccc1)c1ccc(Cl)cc1 ZINC000004813419 563975026 /nfs/dbraw/zinc/97/50/26/563975026.db2.gz WMWLHSODLDXLIS-MRXNPFEDSA-N 0 1 348.793 4.231 50 30 EIEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(Cl)ccc2C)c1O ZINC000000295829 563990312 /nfs/dbraw/zinc/99/03/12/563990312.db2.gz GNGUMSSCUYJLPI-GIJQJNRQSA-N 0 1 334.759 4.412 50 30 EIEAMN Cc1cccc(NC=C(C(=O)c2cccs2)C(=O)C(F)(F)F)c1 ZINC000105758207 564025309 /nfs/dbraw/zinc/02/53/09/564025309.db2.gz RAGDFOYETCXZGK-FMIVXFBMSA-N 0 1 339.338 4.367 50 30 EIEAMN Cc1ccc2c(CC(=O)Nc3nc(-c4ccccn4)n[nH]3)coc2c1C ZINC000047343209 564026131 /nfs/dbraw/zinc/02/61/31/564026131.db2.gz CCVVAIYCDITRLY-UHFFFAOYSA-N 0 1 347.378 4.060 50 30 EIEAMN N#Cc1c(S)[nH]c(=S)c(C#N)c1-c1ccc(Br)cc1 ZINC000005763619 564033121 /nfs/dbraw/zinc/03/31/21/564033121.db2.gz DTZDMUSONIRJHL-UHFFFAOYSA-N 0 1 348.250 4.206 50 30 EIEAMN CCC1([C@@](O)(C#CCN2CCCCC2)c2ccccc2)CCCC1 ZINC000001234560 564061859 /nfs/dbraw/zinc/06/18/59/564061859.db2.gz IPOLUNCXWXXHAX-JOCHJYFZSA-N 0 1 325.496 4.334 50 30 EIEAMN Cc1ccc(-c2n[nH]c(NC(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000012942834 564079644 /nfs/dbraw/zinc/07/96/44/564079644.db2.gz FSNGKRXRWVSEOZ-UHFFFAOYSA-N 0 1 342.786 4.101 50 30 EIEAMN C=C(Cl)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000007252410 564106016 /nfs/dbraw/zinc/10/60/16/564106016.db2.gz RLHIFJTTXZTONS-UHFFFAOYSA-N 0 1 330.638 4.079 50 30 EIEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1)O2 ZINC000020519156 202048019 /nfs/dbraw/zinc/04/80/19/202048019.db2.gz OFCUJQYSGAHXMF-UYRXBGFRSA-N 0 1 337.419 4.240 50 30 EIEAMN C=C(C)[C@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000004987598 210350533 /nfs/dbraw/zinc/35/05/33/210350533.db2.gz LBURCMZXGXUKNQ-KRWDZBQOSA-N 0 1 327.468 4.365 50 30 EIEAMN C=CCN(Cc1cccn1-c1ccccn1)Cc1cccc(OC)c1 ZINC000055371057 518788758 /nfs/dbraw/zinc/78/87/58/518788758.db2.gz QQNRWHRKWRUTQV-UHFFFAOYSA-N 0 1 333.435 4.069 50 30 EIEAMN N#C[C@H](C(=O)c1cnc(-c2ccccc2)s1)c1nc2ccccc2[nH]1 ZINC000048813485 526508311 /nfs/dbraw/zinc/50/83/11/526508311.db2.gz QOHVLSORGIOKFS-CYBMUJFWSA-N 0 1 344.399 4.176 50 30 EIEAMN N#CC(C(=O)c1cnc(-c2ccccc2)s1)c1nc2ccccc2[nH]1 ZINC000048813485 526508316 /nfs/dbraw/zinc/50/83/16/526508316.db2.gz QOHVLSORGIOKFS-CYBMUJFWSA-N 0 1 344.399 4.176 50 30 EIEAMN Cn1nc(C(F)(F)F)c(/C=N/O)c1Sc1ccc(Cl)cc1 ZINC000100271480 563992038 /nfs/dbraw/zinc/99/20/38/563992038.db2.gz FFYVMFCIRRKFNR-UBKPWBPPSA-N 0 1 335.738 4.052 50 30 EIEAMN CSc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1 ZINC000000028691 563211606 /nfs/dbraw/zinc/21/16/06/563211606.db2.gz LTYYGQXXOUFRAH-GZTJUZNOSA-N 0 1 326.450 4.212 50 30 EIEAMN N#CC1(Nc2cccc(Cl)c2)CCN(Cc2ccccc2)CC1 ZINC000000394294 563304473 /nfs/dbraw/zinc/30/44/73/563304473.db2.gz RSJDUDFFVNFZPH-UHFFFAOYSA-N 0 1 325.843 4.310 50 30 EIEAMN Cc1ccccc1NC(=O)C(=O)C(C#N)c1c(Cl)cccc1Cl ZINC000006491519 563569580 /nfs/dbraw/zinc/56/95/80/563569580.db2.gz WFFUTFJBQABSPG-NSHDSACASA-N 0 1 347.201 4.117 50 30 EIEAMN Cc1ccccc1NC(=O)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000006491519 563569581 /nfs/dbraw/zinc/56/95/81/563569581.db2.gz WFFUTFJBQABSPG-NSHDSACASA-N 0 1 347.201 4.117 50 30 EIEAMN Cc1ccc(/N=C2/NC(=O)C(Cc3ccc(Cl)cc3)S2)cc1 ZINC000017040816 563829763 /nfs/dbraw/zinc/82/97/63/563829763.db2.gz RHFFZUMVAICYEV-OAHLLOKOSA-N 0 1 330.840 4.110 50 30 EIEAMN CC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000018117049 563849018 /nfs/dbraw/zinc/84/90/18/563849018.db2.gz CYKPLLUQLKYWBQ-IBGZPJMESA-N 0 1 338.432 4.275 50 30 EIEAMN Oc1ccc2ccccc2c1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000004703511 563965875 /nfs/dbraw/zinc/96/58/75/563965875.db2.gz ZFLBEGYTGOVTEM-LSHDLFTRSA-N 0 1 331.297 4.405 50 30 EIEAMN Fc1ccccc1C=NNc1nc(-c2ccccn2)nc2ccccc21 ZINC000005025347 563993848 /nfs/dbraw/zinc/99/38/48/563993848.db2.gz ZZVCWFVEEJCMAK-YDZHTSKRSA-N 0 1 343.365 4.277 50 30 EIEAMN Cc1ccccc1CC1S/C(=N/c2ccc(Cl)cc2)NC1=O ZINC000005752687 564027692 /nfs/dbraw/zinc/02/76/92/564027692.db2.gz YEYUDVMRSGMWDR-OAHLLOKOSA-N 0 1 330.840 4.110 50 30 EIEAMN CC1(C)CCC[C@@](C)(C#CCN2CCC[C@@H](c3cccnc3)C2)O1 ZINC000015276562 564079423 /nfs/dbraw/zinc/07/94/23/564079423.db2.gz NUNVPUXDSPVZBU-CTNGQTDRSA-N 0 1 326.484 4.002 50 30 EIEAMN CC(C)c1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007421483 564108308 /nfs/dbraw/zinc/10/83/08/564108308.db2.gz VKLPUQRXGUPZMQ-INIZCTEOSA-N 0 1 335.451 4.141 50 30 EIEAMN Fc1ccc(CN(CC#Cc2ccccc2)CCc2ccccn2)cc1 ZINC000170611948 564109758 /nfs/dbraw/zinc/10/97/58/564109758.db2.gz RSVDHUNJGBXIPZ-UHFFFAOYSA-N 0 1 344.433 4.317 50 30 EIEAMN CC(=NN1CCN(Cc2cccc3ccccc32)CC1)c1ccccc1 ZINC000252634461 564124511 /nfs/dbraw/zinc/12/45/11/564124511.db2.gz WOARILBJWSWPBO-UHFFFAOYSA-N 0 1 343.474 4.382 50 30 EIEAMN CCc1ccc(OCC(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000002660069 564152016 /nfs/dbraw/zinc/15/20/16/564152016.db2.gz RAKOIKLREQIEJF-HNNXBMFYSA-N 0 1 336.416 4.114 50 30 EIEAMN Oc1c(Cl)cc(Cl)c2ccc(NN=Cc3cccnc3)nc12 ZINC000003909714 564159687 /nfs/dbraw/zinc/15/96/87/564159687.db2.gz LCRHPXZWVNKDPB-UFWORHAWSA-N 0 1 333.178 4.088 50 30 EIEAMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccoc3C)n2)cc1 ZINC000066543695 564163384 /nfs/dbraw/zinc/16/33/84/564163384.db2.gz SRLCIZIWVNPSRY-HNNXBMFYSA-N 0 1 338.388 4.210 50 30 EIEAMN C=CCCO[C@@H](C)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000067799058 564166901 /nfs/dbraw/zinc/16/69/01/564166901.db2.gz GWBOSTLLYGECIN-CMPLNLGQSA-N 0 1 334.828 4.107 50 30 EIEAMN N#CC(C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccn1 ZINC000051898269 1026445783 /nfs/dbraw/zinc/44/57/83/1026445783.db2.gz LSTYYNHDKBQGTD-LBPRGKRZSA-N 0 1 339.807 4.349 50 30 EIEAMN N#C[C@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccn1 ZINC000051898269 1026445794 /nfs/dbraw/zinc/44/57/94/1026445794.db2.gz LSTYYNHDKBQGTD-LBPRGKRZSA-N 0 1 339.807 4.349 50 30 EIEAMN N#Cc1nc(-c2ccccc2)oc1NC[C@H](c1ccco1)N1CCCC1 ZINC000027562165 202158143 /nfs/dbraw/zinc/15/81/43/202158143.db2.gz GTDUZVSSPVSJQG-QGZVFWFLSA-N 0 1 348.406 4.055 50 30 EIEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O ZINC000036075260 202313172 /nfs/dbraw/zinc/31/31/72/202313172.db2.gz JJVQIKRMINYHJW-RGVLZGJSSA-N 0 1 344.411 4.087 50 30 EIEAMN CN(C)[C@@H](CNc1oc(-c2cccs2)nc1C#N)c1ccsc1 ZINC000072238588 203183788 /nfs/dbraw/zinc/18/37/88/203183788.db2.gz LSVLSNFKIFJFQA-ZDUSSCGKSA-N 0 1 344.465 4.051 50 30 EIEAMN CC(=NN=c1cc(C)[nH]c(NCc2ccccc2)n1)c1ccccc1 ZINC000004859751 518464876 /nfs/dbraw/zinc/46/48/76/518464876.db2.gz LIYRRXYPSGTIIB-LFVJCYFKSA-N 0 1 331.423 4.233 50 30 EIEAMN C=CCn1cc(CN(Cc2ccc(SC)cc2)C2CC2)c(C)n1 ZINC000055228440 519278068 /nfs/dbraw/zinc/27/80/68/519278068.db2.gz WQEAIKSPYUBTDS-UHFFFAOYSA-N 0 1 327.497 4.264 50 30 EIEAMN S=c1[nH]nc(-c2ccco2)n1N=Cc1cccc(Cl)c1Cl ZINC000001296507 563382725 /nfs/dbraw/zinc/38/27/25/563382725.db2.gz XFYVOYOPZLODBG-FRKPEAEDSA-N 0 1 339.207 4.390 50 30 EIEAMN Clc1ccc(C=NN=c2[nH]c3c(s2)CCCC3)c(Cl)c1 ZINC000004576797 563505797 /nfs/dbraw/zinc/50/57/97/563505797.db2.gz BNTKJDINRCQKQY-CAOOACKPSA-N 0 1 326.252 4.197 50 30 EIEAMN CCCCCCCCCCCCCCC[C@H]1[C@@H](N)C(=O)N(C)N1C ZINC000100814468 563982759 /nfs/dbraw/zinc/98/27/59/563982759.db2.gz MLOYETIONQWLDL-RBUKOAKNSA-N 0 1 339.568 4.482 50 30 EIEAMN Cn1nc(C(F)(F)F)c(/C=N/O)c1SCc1ccccc1Cl ZINC000100271495 563992077 /nfs/dbraw/zinc/99/20/77/563992077.db2.gz HWIUCKJBBBFNGG-NGYBGAFCSA-N 0 1 349.765 4.193 50 30 EIEAMN Cc1nc(-c2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)co2)cs1 ZINC000408512828 563992697 /nfs/dbraw/zinc/99/26/97/563992697.db2.gz FCISXRNTIARTDP-LBPRGKRZSA-N 0 1 348.387 4.078 50 30 EIEAMN CC(C)c1ccc(-c2nc(N3CCC(C)CC3)[nH]c(=O)c2C#N)cc1 ZINC000005151821 563994747 /nfs/dbraw/zinc/99/47/47/563994747.db2.gz NZQTVUCKTPYXIN-UHFFFAOYSA-N 0 1 336.439 4.081 50 30 EIEAMN CCOc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1OC ZINC000005201122 564000554 /nfs/dbraw/zinc/00/05/54/564000554.db2.gz ZYEBEMHRECHBNH-WOJGMQOQSA-N 0 1 327.409 4.150 50 30 EIEAMN CCOc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1OC ZINC000005201122 564000555 /nfs/dbraw/zinc/00/05/55/564000555.db2.gz ZYEBEMHRECHBNH-WOJGMQOQSA-N 0 1 327.409 4.150 50 30 EIEAMN Cc1ccc(NC=C(C(=O)c2cccs2)C(=O)C(F)(F)F)cc1 ZINC000102920799 564020926 /nfs/dbraw/zinc/02/09/26/564020926.db2.gz ZWUIXYWYOXPDMQ-FMIVXFBMSA-N 0 1 339.338 4.367 50 30 EIEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(C)c2)cc1 ZINC000005906652 564056895 /nfs/dbraw/zinc/05/68/95/564056895.db2.gz KDMUEIIKTVZJJU-XDHOZWIPSA-N 0 1 338.436 4.197 50 30 EIEAMN N#CC(C(=O)Cc1cccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000012933355 564079078 /nfs/dbraw/zinc/07/90/78/564079078.db2.gz GLSDBQUKWXDBSJ-QGZVFWFLSA-N 0 1 325.371 4.135 50 30 EIEAMN C=CCC[C@@H](O)CN(Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000036095356 564095927 /nfs/dbraw/zinc/09/59/27/564095927.db2.gz WCPKEWCQXWGQJI-LJQANCHMSA-N 0 1 343.442 4.164 50 30 EIEAMN CCC1SC(=NN=Cc2c3ccccc3cc3ccccc32)NC1=O ZINC000252589076 564120851 /nfs/dbraw/zinc/12/08/51/564120851.db2.gz AGUYRBQUTLKJCE-SFHVURJKSA-N 0 1 347.443 4.325 50 30 EIEAMN CN(C)c1ccc(C=[NH+][N-]c2nc(-c3ccc(O)cc3)cs2)cc1 ZINC000252593496 564121057 /nfs/dbraw/zinc/12/10/57/564121057.db2.gz BKHNHCGYJQXMIA-UHFFFAOYSA-N 0 1 338.436 4.028 50 30 EIEAMN N#Cc1c(=O)[nH]c2c(c1-c1ccc(F)cc1)CSc1ccccc1-2 ZINC000000159724 564132927 /nfs/dbraw/zinc/13/29/27/564132927.db2.gz BJVKUBOMYHLBHT-UHFFFAOYSA-N 0 1 334.375 4.325 50 30 EIEAMN N#Cc1cccc(S(=O)(=O)Nc2ccccc2-c2cccs2)c1 ZINC000010512298 564176322 /nfs/dbraw/zinc/17/63/22/564176322.db2.gz UMZPUBSBXHPZCM-UHFFFAOYSA-N 0 1 340.429 4.088 50 30 EIEAMN C(=N/N1CCN(Cc2cccc3ccccc32)CC1)\c1cccs1 ZINC000019773056 202018936 /nfs/dbraw/zinc/01/89/36/202018936.db2.gz HQRGLARIPQHXAF-RCCKNPSSSA-N 0 1 335.476 4.053 50 30 EIEAMN COc1cc(C2(C(=O)C(C#N)c3nc4ccccc4o3)CC2)ccc1C ZINC000069697914 258063814 /nfs/dbraw/zinc/06/38/14/258063814.db2.gz YKCJRUHXUPJYCR-HNNXBMFYSA-N 0 1 346.386 4.053 50 30 EIEAMN Cc1ccc(C[C@@H](C#N)Sc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000006879656 524651546 /nfs/dbraw/zinc/65/15/46/524651546.db2.gz IANQOVCNFWJSJC-AWEZNQCLSA-N 0 1 338.411 4.146 50 30 EIEAMN CCc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(OC)cc2)cc1 ZINC000001249156 563381195 /nfs/dbraw/zinc/38/11/95/563381195.db2.gz FUWLRIJIALURDR-XDHOZWIPSA-N 0 1 338.436 4.061 50 30 EIEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2Cl)cc1 ZINC000001253766 563381692 /nfs/dbraw/zinc/38/16/92/563381692.db2.gz ARSNTVPNZSVQCJ-VCHYOVAHSA-N 0 1 328.828 4.452 50 30 EIEAMN S=c1[nH]nc(-c2ccco2)n1N=Cc1ccc(Cl)cc1Cl ZINC000001297055 563382699 /nfs/dbraw/zinc/38/26/99/563382699.db2.gz DBSYGLWXNBYGDV-FRKPEAEDSA-N 0 1 339.207 4.390 50 30 EIEAMN CC(=NNc1cc(-c2ccccc2)nc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000004595550 563505806 /nfs/dbraw/zinc/50/58/06/563505806.db2.gz VLGVUTPWDUZTIN-LPYMAVHISA-N 0 1 347.378 4.196 50 30 EIEAMN CCCCCCCCCCCCCCC[C@@H]1[C@@H](N)C(=O)N(C)N1C ZINC000100814467 563982761 /nfs/dbraw/zinc/98/27/61/563982761.db2.gz MLOYETIONQWLDL-RTBURBONSA-N 0 1 339.568 4.482 50 30 EIEAMN Cc1c([C@H](C)NCc2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000062420770 564005083 /nfs/dbraw/zinc/00/50/83/564005083.db2.gz OSEREPWVSAUUHW-AWEZNQCLSA-N 0 1 334.398 4.042 50 30 EIEAMN C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccc2ccccc2c1 ZINC000012902316 564077722 /nfs/dbraw/zinc/07/77/22/564077722.db2.gz MJEYEEWUEYSYNC-MRXNPFEDSA-N 0 1 343.430 4.170 50 30 EIEAMN CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(C)c2)cc1 ZINC000005906390 564093350 /nfs/dbraw/zinc/09/33/50/564093350.db2.gz SWCXFMPIDNXEOQ-XDHOZWIPSA-N 0 1 338.436 4.197 50 30 EIEAMN N#CC(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000230197905 564155106 /nfs/dbraw/zinc/15/51/06/564155106.db2.gz MZANEIGGLAHDEH-XQQFMLRXSA-N 0 1 331.202 4.368 50 30 EIEAMN N#C[C@@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1ccccn1 ZINC000067601501 564166157 /nfs/dbraw/zinc/16/61/57/564166157.db2.gz WJQKWCTXWHWMFA-GFCCVEGCSA-N 0 1 339.807 4.349 50 30 EIEAMN N#CC(C(=O)c1csc(-c2ccccc2Cl)n1)c1ccccn1 ZINC000067601501 564166158 /nfs/dbraw/zinc/16/61/58/564166158.db2.gz WJQKWCTXWHWMFA-GFCCVEGCSA-N 0 1 339.807 4.349 50 30 EIEAMN Cc1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)s1 ZINC000019791213 202020665 /nfs/dbraw/zinc/02/06/65/202020665.db2.gz SLSMNWZZGLYQAA-PXLXIMEGSA-N 0 1 349.503 4.361 50 30 EIEAMN CCCCCCCCN1C(=O)c2n[nH]c(C)c2[C@@H]1c1ccc(O)cc1 ZINC000101474137 204007544 /nfs/dbraw/zinc/00/75/44/204007544.db2.gz VCVKHYZTYGCUFI-IBGZPJMESA-N 0 1 341.455 4.329 50 30 EIEAMN CCCN(CC#Cc1ccccc1)Cc1cccn1-c1ccccn1 ZINC000055041960 258014531 /nfs/dbraw/zinc/01/45/31/258014531.db2.gz KOUBCQNOEFPXRE-UHFFFAOYSA-N 0 1 329.447 4.136 50 30 EIEAMN Cc1ccc(C(=N)NOC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000004390540 525942525 /nfs/dbraw/zinc/94/25/25/525942525.db2.gz FLZGHHRQRMFFFK-INIZCTEOSA-N 0 1 338.451 4.161 50 30 EIEAMN N#C[C@@H](C(=O)c1cnc(-c2ccccc2)s1)c1nc2ccccc2[nH]1 ZINC000048813486 526494414 /nfs/dbraw/zinc/49/44/14/526494414.db2.gz QOHVLSORGIOKFS-ZDUSSCGKSA-N 0 1 344.399 4.176 50 30 EIEAMN N#CC(C(=O)c1cnc(-c2ccccc2)s1)c1nc2ccccc2[nH]1 ZINC000048813486 526494421 /nfs/dbraw/zinc/49/44/21/526494421.db2.gz QOHVLSORGIOKFS-ZDUSSCGKSA-N 0 1 344.399 4.176 50 30 EIEAMN CC(C)(C)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccco2)cc1 ZINC000001261502 563382051 /nfs/dbraw/zinc/38/20/51/563382051.db2.gz QXVCRFUZOALINP-WOJGMQOQSA-N 0 1 326.425 4.380 50 30 EIEAMN Cc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1Br ZINC000008813852 563640345 /nfs/dbraw/zinc/64/03/45/563640345.db2.gz PKZYTYAZWWTPRV-RQZCQDPDSA-N 0 1 329.201 4.080 50 30 EIEAMN N#Cc1cccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)c1 ZINC000044838054 564027327 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CCCCc1ccc(/N=C2\NC(=O)C(Cc3ccccc3)S2)cc1 ZINC000009348754 564172871 /nfs/dbraw/zinc/17/28/71/564172871.db2.gz RFZPBJHOGAKHOC-SFHVURJKSA-N 0 1 338.476 4.491 50 30 EIEAMN CC(C)c1csc(C(C#N)C(=O)C=Cc2ccc(Cl)nc2)n1 ZINC000098053215 1041102508 /nfs/dbraw/zinc/10/25/08/1041102508.db2.gz UPLSLOVZOQRNLB-FHMRSRPSSA-N 0 1 331.828 4.205 50 30 EIEAMN Fc1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019773307 202019710 /nfs/dbraw/zinc/01/97/10/202019710.db2.gz LOVMKXVPKXHSOC-LFVJCYFKSA-N 0 1 347.437 4.131 50 30 EIEAMN C=C(CC(=O)c1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000005257159 518412020 /nfs/dbraw/zinc/41/20/20/518412020.db2.gz XTHWSLFGDPYUEY-QXMHVHEDSA-N 0 1 329.193 4.461 50 30 EIEAMN C=C(C)COc1cccc(CN[C@H](C)c2c(C)nn(CC)c2C)c1 ZINC000055284381 518619603 /nfs/dbraw/zinc/61/96/03/518619603.db2.gz ZZVJVWZZWUKIMZ-OAHLLOKOSA-N 0 1 327.472 4.326 50 30 EIEAMN CCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1 ZINC000005892780 520324002 /nfs/dbraw/zinc/32/40/02/520324002.db2.gz JYDLISZRFYDOLC-CPNJWEJPSA-N 0 1 338.436 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/nfs/dbraw/zinc/05/10/21/564051021.db2.gz HTVLXSQZWVJQLX-AWEZNQCLSA-N 0 1 339.807 4.349 50 30 EIEAMN Cc1ccc(/N=C2\NC(=O)C(Cc3ccccc3Cl)S2)cc1 ZINC000005812646 564054548 /nfs/dbraw/zinc/05/45/48/564054548.db2.gz QFXYURKPGDEENG-OAHLLOKOSA-N 0 1 330.840 4.110 50 30 EIEAMN Cc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)cc1 ZINC000005968170 564112447 /nfs/dbraw/zinc/11/24/47/564112447.db2.gz KPONNSOFNJSYDD-VCHYOVAHSA-N 0 1 328.828 4.452 50 30 EIEAMN N#Cc1cccc(CNCc2ccc(Oc3cccnc3)c(F)c2)c1 ZINC000058030616 564157228 /nfs/dbraw/zinc/15/72/28/564157228.db2.gz VWTCBFCRYJNGAR-UHFFFAOYSA-N 0 1 333.366 4.174 50 30 EIEAMN N#CC(C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccn1 ZINC000051898270 1026445935 /nfs/dbraw/zinc/44/59/35/1026445935.db2.gz LSTYYNHDKBQGTD-GFCCVEGCSA-N 0 1 339.807 4.349 50 30 EIEAMN N#C[C@@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccn1 ZINC000051898270 1026445946 /nfs/dbraw/zinc/44/59/46/1026445946.db2.gz LSTYYNHDKBQGTD-GFCCVEGCSA-N 0 1 339.807 4.349 50 30 EIEAMN CC(=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1scnc1C ZINC000254844065 1034452928 /nfs/dbraw/zinc/45/29/28/1034452928.db2.gz STZFHAKVXSIYNW-UHFFFAOYSA-N 0 1 344.318 4.215 50 30 EIEAMN CCCCCCCCN1C(=O)c2n[nH]c(C)c2[C@H]1c1ccc(O)cc1 ZINC000101474135 219128098 /nfs/dbraw/zinc/12/80/98/219128098.db2.gz VCVKHYZTYGCUFI-LJQANCHMSA-N 0 1 341.455 4.329 50 30 EIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000103087389 219254165 /nfs/dbraw/zinc/25/41/65/219254165.db2.gz PTEOTLMOIZESGP-LFVOPCPISA-N 0 1 349.430 4.217 50 30 EIEAMN C=CC[NH+](CC=C)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)coc21 ZINC000019792787 212067625 /nfs/dbraw/zinc/06/76/25/212067625.db2.gz MFDKWLHHASVLSA-UHFFFAOYSA-N 0 1 347.414 4.340 50 30 biogenic EIEAMN C=CCn1c(C)cc(C(=O)CSc2nc(C3CCCC3)n[nH]2)c1C ZINC000008756787 258018192 /nfs/dbraw/zinc/01/81/92/258018192.db2.gz NGVQVZHIDHKOHM-UHFFFAOYSA-N 0 1 344.484 4.042 50 30 EIEAMN C=CCn1c(C)cc(C(=O)CSc2n[nH]c(C3CCCC3)n2)c1C ZINC000008756787 258018193 /nfs/dbraw/zinc/01/81/93/258018193.db2.gz NGVQVZHIDHKOHM-UHFFFAOYSA-N 0 1 344.484 4.042 50 30 EIEAMN Cc1ccc(C(=O)ONC(=N)Cc2cccc3ccccc32)cc1C ZINC000004885434 526236746 /nfs/dbraw/zinc/23/67/46/526236746.db2.gz FGXNTEICPPLDMY-UHFFFAOYSA-N 0 1 332.403 4.128 50 30 EIEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Cl)c2)cc1 ZINC000006199516 563561053 /nfs/dbraw/zinc/56/10/53/563561053.db2.gz QIURXHBKDGDHIH-VCHYOVAHSA-N 0 1 328.828 4.452 50 30 EIEAMN Cc1ccc(C(=O)CC=Nc2ccn(Cc3ccccc3F)n2)cc1 ZINC000002794301 563616208 /nfs/dbraw/zinc/61/62/08/563616208.db2.gz ZLYVCFSBMNXKGE-ZRDIBKRKSA-N 0 1 335.382 4.187 50 30 EIEAMN N#CC(C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccoc1 ZINC000103504347 564022611 /nfs/dbraw/zinc/02/26/11/564022611.db2.gz AKLWRYCMYVNPBL-MRXNPFEDSA-N 0 1 346.342 4.033 50 30 EIEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2C)cc1 ZINC000005906658 564033039 /nfs/dbraw/zinc/03/30/39/564033039.db2.gz AUZKITZXLJETHZ-XDHOZWIPSA-N 0 1 338.436 4.197 50 30 EIEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2ccccc2F)c1 ZINC000005906935 564093343 /nfs/dbraw/zinc/09/33/43/564093343.db2.gz BQURNSDGIRFGJM-YBFXNURJSA-N 0 1 342.399 4.028 50 30 EIEAMN Cc1ccc(CC[C@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)o1 ZINC000328587323 564136558 /nfs/dbraw/zinc/13/65/58/564136558.db2.gz APGPBIUSJPFXAB-DZGCQCFKSA-N 0 1 347.484 4.159 50 30 EIEAMN CCc1ccc(OCC(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000002660068 564152034 /nfs/dbraw/zinc/15/20/34/564152034.db2.gz RAKOIKLREQIEJF-OAHLLOKOSA-N 0 1 336.416 4.114 50 30 EIEAMN N#CC(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1nc2ccccc2o1 ZINC000067799245 215214938 /nfs/dbraw/zinc/21/49/38/215214938.db2.gz PKWMDHVWDJAVEX-JTQLQIEISA-N 0 1 348.255 4.476 50 30 EIEAMN C[C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccccc2)O3)C1 ZINC000022625691 212313306 /nfs/dbraw/zinc/31/33/06/212313306.db2.gz VUSYPEUNWOSRBV-DKNZLLBESA-N 0 1 349.430 4.240 50 30 biogenic EIEAMN C=CCN(CC=C)CCOc1ccc(Cl)cc1Br ZINC000020272692 212115862 /nfs/dbraw/zinc/11/58/62/212115862.db2.gz OFBIERKKYCSWOR-UHFFFAOYSA-N 0 1 330.653 4.155 50 30 EIEAMN C(=C/c1ccco1)\C=N\N1CCN(Cc2cccc3ccccc32)CC1 ZINC000020100914 212100854 /nfs/dbraw/zinc/10/08/54/212100854.db2.gz GCWSUXUUONKCKR-RBPBNGIGSA-N 0 1 345.446 4.250 50 30 EIEAMN O=[N+]([O-])c1ccc(Cl)c(C=NNc2nc3ccccc3s2)c1 ZINC000004995960 210354428 /nfs/dbraw/zinc/35/44/28/210354428.db2.gz AHPQWLUNCGQKDB-LZYBPNLTSA-N 0 1 332.772 4.304 50 30 EIEAMN C=CCOc1ccccc1CN(CC)Cc1c2ccccc2nn1C ZINC000055369301 519067749 /nfs/dbraw/zinc/06/77/49/519067749.db2.gz GCKMTAZZFUFPLW-UHFFFAOYSA-N 0 1 335.451 4.160 50 30 EIEAMN CC[C@@H](C(=O)ONC(=N)Cc1cccc2ccccc21)c1ccccc1 ZINC000004845559 521885374 /nfs/dbraw/zinc/88/53/74/521885374.db2.gz AKFJWTLOWUWHFC-LJQANCHMSA-N 0 1 346.430 4.392 50 30 EIEAMN Cc1cc(N=NCc2ccccc2Cl)nc(-c2ccccc2O)n1 ZINC000004957730 525043172 /nfs/dbraw/zinc/04/31/72/525043172.db2.gz VYUJWIRZESYEJA-RGVLZGJSSA-N 0 1 338.798 4.257 50 30 EIEAMN C=CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)SC1=S ZINC000013943450 564074058 /nfs/dbraw/zinc/07/40/58/564074058.db2.gz WYTHGJWEHGQBLR-BJMVGYQFSA-N 0 1 346.260 4.086 50 30 EIEAMN Cc1ccc(C(=O)C2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000026638741 564087291 /nfs/dbraw/zinc/08/72/91/564087291.db2.gz FGCMSJUEPWQUPW-UHFFFAOYSA-N 0 1 332.447 4.270 50 30 EIEAMN Cc1c([C@@H](C)NCc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000067504608 215156151 /nfs/dbraw/zinc/15/61/51/215156151.db2.gz ZYBKCMTYMKBVML-CQSZACIVSA-N 0 1 334.398 4.042 50 30 EIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000103087392 219254521 /nfs/dbraw/zinc/25/45/21/219254521.db2.gz PTEOTLMOIZESGP-WOOAAIBNSA-N 0 1 349.430 4.217 50 30 EIEAMN S=c1[nH]nc(-c2ccco2)n1N=Cc1c(Cl)cccc1Cl ZINC000001245433 209720126 /nfs/dbraw/zinc/72/01/26/209720126.db2.gz CUKPMPLHZPXTQA-FRKPEAEDSA-N 0 1 339.207 4.390 50 30 EIEAMN COc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1OC ZINC000000058394 209394395 /nfs/dbraw/zinc/39/43/95/209394395.db2.gz ZGVXXALFJHOOBW-QGMBQPNBSA-N 0 1 326.179 4.467 50 30 EIEAMN Cc1ccc(C(=O)/C=C/c2cc(Cl)cc3c2OCOC3)c(O)c1 ZINC000004772739 210275376 /nfs/dbraw/zinc/27/53/76/210275376.db2.gz TVHJNPLUVOGNAC-HWKANZROSA-N 0 1 330.767 4.117 50 30 EIEAMN COc1ccc(CN=Nc2nc3cc(C)ccc3cc2C)cc1OC ZINC000004750893 210270627 /nfs/dbraw/zinc/27/06/27/210270627.db2.gz LOIKJRKOQKDFIE-CIAFOILYSA-N 0 1 335.407 4.315 50 30 EIEAMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)Oc3cccc(C)c3)n2)cc1 ZINC000028788404 258057955 /nfs/dbraw/zinc/05/79/55/258057955.db2.gz QWINYHAVRPFJPM-CQSZACIVSA-N 0 1 336.395 4.144 50 30 EIEAMN COc1cc(C2(C(=O)C(C#N)c3nc4ccccc4o3)CC2)ccc1C ZINC000069697912 258063779 /nfs/dbraw/zinc/06/37/79/258063779.db2.gz YKCJRUHXUPJYCR-OAHLLOKOSA-N 0 1 346.386 4.053 50 30 EIEAMN Cc1ccc(C[C@@H](C#N)Sc2nc(CC3CCCC3)n[nH]2)cc1 ZINC000031798144 524651426 /nfs/dbraw/zinc/65/14/26/524651426.db2.gz GTBHTWJDIIPYKW-INIZCTEOSA-N 0 1 326.469 4.073 50 30 EIEAMN Cc1ccc(C[C@@H](C#N)Sc2n[nH]c(CC3CCCC3)n2)cc1 ZINC000031798144 524651438 /nfs/dbraw/zinc/65/14/38/524651438.db2.gz GTBHTWJDIIPYKW-INIZCTEOSA-N 0 1 326.469 4.073 50 30 EIEAMN Cc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000016965075 525463473 /nfs/dbraw/zinc/46/34/73/525463473.db2.gz HMRYSOTVVVUECW-CQSZACIVSA-N 0 1 336.395 4.144 50 30 EIEAMN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(-c2ccccc2)n[nH]1 ZINC000025156165 525944274 /nfs/dbraw/zinc/94/42/74/525944274.db2.gz MIXOHPZCHZHHDN-NSHDSACASA-N 0 1 342.786 4.181 50 30 EIEAMN FC(F)Oc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000004058894 527695801 /nfs/dbraw/zinc/69/58/01/527695801.db2.gz UGJBPPBZDRMWHG-QPSGOUHRSA-N 0 1 331.244 4.148 50 30 EIEAMN CCOc1ccccc1C=Nn1c(=S)[nH]nc1C1CCCCC1 ZINC000001240571 563381070 /nfs/dbraw/zinc/38/10/70/563381070.db2.gz WDUWGGFQTQDKIU-LDADJPATSA-N 0 1 330.457 4.269 50 30 EIEAMN S=c1[nH]nc(-c2ccco2)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000001299796 563382664 /nfs/dbraw/zinc/38/26/64/563382664.db2.gz QTLDBJFEKWAEGM-FRKPEAEDSA-N 0 1 339.207 4.390 50 30 EIEAMN Cc1ccccc1-c1n[nH]c(=S)n1N=Cc1cccc(Cl)c1 ZINC000006056311 563558376 /nfs/dbraw/zinc/55/83/76/563558376.db2.gz TZAFWSDVPZSUNX-VCHYOVAHSA-N 0 1 328.828 4.452 50 30 EIEAMN CCCCCCCCCCCCCCC[C@H]1[C@H](N)C(=O)N(C)N1C ZINC000100814473 563982765 /nfs/dbraw/zinc/98/27/65/563982765.db2.gz MLOYETIONQWLDL-OALUTQOASA-N 0 1 339.568 4.482 50 30 EIEAMN COC1C(=O)c2ccccc2C(=O)C1=Nc1cccc(C(F)(F)F)c1 ZINC000000109616 563986537 /nfs/dbraw/zinc/98/65/37/563986537.db2.gz NROZTYLBXWWHCH-UHFFFAOYSA-N 0 1 347.292 4.055 50 30 EIEAMN Cc1ccccc1[C@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000048286745 564030493 /nfs/dbraw/zinc/03/04/93/564030493.db2.gz PBPAUXMBWOBGHN-OAQYLSRUSA-N 0 1 347.462 4.079 50 30 EIEAMN CC(C)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nn1C(C)(C)C ZINC000048813719 564032312 /nfs/dbraw/zinc/03/23/12/564032312.db2.gz BABHILCJFVENCH-CYBMUJFWSA-N 0 1 349.438 4.128 50 30 EIEAMN N#C[C@@H](C(=O)c1ccc(-c2cnco2)cc1)c1nc2ccccc2s1 ZINC000084600498 564069016 /nfs/dbraw/zinc/06/90/16/564069016.db2.gz LMOGBIYLRLUREO-AWEZNQCLSA-N 0 1 345.383 4.441 50 30 EIEAMN N#CC(C(=O)c1ccc(-c2cnco2)cc1)c1nc2ccccc2s1 ZINC000084600498 564069017 /nfs/dbraw/zinc/06/90/17/564069017.db2.gz LMOGBIYLRLUREO-AWEZNQCLSA-N 0 1 345.383 4.441 50 30 EIEAMN O=[N+]([O-])c1ccc(C=Nc2ccc3nc(-c4ccncc4)[nH]c3c2)cc1 ZINC000252617215 564086939 /nfs/dbraw/zinc/08/69/39/564086939.db2.gz KOORZTJVVBYXKT-UHFFFAOYSA-N 0 1 343.346 4.284 50 30 EIEAMN Fc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(Cl)cc1 ZINC000005998618 564113029 /nfs/dbraw/zinc/11/30/29/564113029.db2.gz JLCHEWZWKAZHGQ-GIJQJNRQSA-N 0 1 332.791 4.282 50 30 EIEAMN CCCCCc1sc([N-][NH+]=Cc2ccc(C(C)C)cc2)nc1O ZINC000003079904 564155035 /nfs/dbraw/zinc/15/50/35/564155035.db2.gz IXAOFSQUORFHHG-PUMYGXPMSA-N 0 1 331.485 4.312 50 30 EIEAMN O=C(N[C@H]1CCCc2occc21)N1CCCn2c(cc3ccccc32)C1 ZINC000329240110 1022574775 /nfs/dbraw/zinc/57/47/75/1022574775.db2.gz MKYZBRZMFPXWMI-SFHVURJKSA-N 0 1 349.434 4.432 50 30 EIEAMN C=CCC1(CC=C)CCCC[N@@H+]1Cc1ccccc1OCC(=O)[O-] ZINC000055228564 214292466 /nfs/dbraw/zinc/29/24/66/214292466.db2.gz YVMZZKDAFDSBDF-UHFFFAOYSA-N 0 1 329.440 4.027 50 30 EIEAMN Cc1ccc([C@@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000036396151 213096983 /nfs/dbraw/zinc/09/69/83/213096983.db2.gz AAJDVEFRWUBMQJ-NRFANRHFSA-N 0 1 347.462 4.079 50 30 EIEAMN N#Cc1cccc(-c2nccn2CCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000072474524 216251659 /nfs/dbraw/zinc/25/16/59/216251659.db2.gz XOTCCNMIYFNUIN-UHFFFAOYSA-N 0 1 345.381 4.070 50 30 EIEAMN CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2F)cc1 ZINC000005906392 210556986 /nfs/dbraw/zinc/55/69/86/210556986.db2.gz RBHPOONBOCCJIL-YBFXNURJSA-N 0 1 342.399 4.028 50 30 EIEAMN Cc1ccc(-c2nc3ccccc3c(NN=Cc3ccncc3)n2)cc1 ZINC000004989559 210351516 /nfs/dbraw/zinc/35/15/16/210351516.db2.gz ZPFXHTBDRLJLTR-OEAKJJBVSA-N 0 1 339.402 4.446 50 30 EIEAMN N#C[C@H](C(=O)c1cccc2ncccc21)c1nc2ccccc2s1 ZINC000330033313 258002414 /nfs/dbraw/zinc/00/24/14/258002414.db2.gz YZCRMRUZCZOGKC-CQSZACIVSA-N 0 1 329.384 4.335 50 30 EIEAMN N#CC(C(=O)c1cccc2ncccc21)c1nc2ccccc2s1 ZINC000330033313 258002415 /nfs/dbraw/zinc/00/24/15/258002415.db2.gz YZCRMRUZCZOGKC-CQSZACIVSA-N 0 1 329.384 4.335 50 30 EIEAMN O=C(Nc1ccsc1)[C@@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000330031867 258003057 /nfs/dbraw/zinc/00/30/57/258003057.db2.gz FFSRFDXVQFTBQS-OAHLLOKOSA-N 0 1 346.456 4.207 50 30 EIEAMN N=C(Cc1ccc(Cl)cc1)NOC(=O)c1cccc2ccccc21 ZINC000004690333 526813712 /nfs/dbraw/zinc/81/37/12/526813712.db2.gz PDIPALLOXOFUBU-UHFFFAOYSA-N 0 1 338.794 4.165 50 30 EIEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc(C)c(C)c1C#N ZINC000006556476 563571930 /nfs/dbraw/zinc/57/19/30/563571930.db2.gz ZRRFBDVLSGVNHY-KEBDBYFISA-N 0 1 336.420 4.187 50 30 EIEAMN Cc1ccc(/N=C2\NC(=O)C(Cc3cccc(Cl)c3)S2)cc1 ZINC000017040824 563829724 /nfs/dbraw/zinc/82/97/24/563829724.db2.gz QUNKENHPHCFTGG-OAHLLOKOSA-N 0 1 330.840 4.110 50 30 EIEAMN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1ccc(Cl)o1 ZINC000128725356 563973970 /nfs/dbraw/zinc/97/39/70/563973970.db2.gz PPZLNYFBOLQHCO-ZDUSSCGKSA-N 0 1 338.750 4.047 50 30 EIEAMN Cc1ccccc1[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000048286743 564030475 /nfs/dbraw/zinc/03/04/75/564030475.db2.gz PBPAUXMBWOBGHN-NRFANRHFSA-N 0 1 347.462 4.079 50 30 EIEAMN C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc(Cl)c1O ZINC000024034503 564078823 /nfs/dbraw/zinc/07/88/23/564078823.db2.gz JEOWVMQOFIPMCA-MRXNPFEDSA-N 0 1 349.217 4.452 50 30 EIEAMN CCc1nc([C@@H](C#N)C(=O)c2csc3c2CCCC3)sc1C ZINC000089282614 564088866 /nfs/dbraw/zinc/08/88/66/564088866.db2.gz OKEQXVABITYUHI-LBPRGKRZSA-N 0 1 330.478 4.444 50 30 EIEAMN CCc1nc(C(C#N)C(=O)c2csc3c2CCCC3)sc1C ZINC000089282614 564088867 /nfs/dbraw/zinc/08/88/67/564088867.db2.gz OKEQXVABITYUHI-LBPRGKRZSA-N 0 1 330.478 4.444 50 30 EIEAMN CSc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2F)cc1 ZINC000005911765 564093389 /nfs/dbraw/zinc/09/33/89/564093389.db2.gz LKGWPJNRDYPZTC-VCHYOVAHSA-N 0 1 344.440 4.351 50 30 EIEAMN CC(=NNc1nc2ccccc2[nH]1)c1ccccc1Br ZINC000254696322 1035888671 /nfs/dbraw/zinc/88/86/71/1035888671.db2.gz MUDUJKZPHHCXPY-UHFFFAOYSA-N 0 1 329.201 4.162 50 30 EIEAMN COc1ccc(OC)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000100034079 219089294 /nfs/dbraw/zinc/08/92/94/219089294.db2.gz HBTQHNKMJASLIF-QGMBQPNBSA-N 0 1 326.179 4.467 50 30 EIEAMN O=C(C=C([O-])C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000101355434 219124186 /nfs/dbraw/zinc/12/41/86/219124186.db2.gz WXAQJLVFWMIXBK-DHDCSXOGSA-N 0 1 336.174 4.257 50 30 EIEAMN CCCCN1CCc2nc[nH]c2[C@@H]1c1ccc(-c2ccccc2C#N)o1 ZINC000072423237 216211266 /nfs/dbraw/zinc/21/12/66/216211266.db2.gz UXZRUSJTFIPGEX-NRFANRHFSA-N 0 1 346.434 4.289 50 30 EIEAMN Fc1ccccc1/C=N/N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019772977 212064561 /nfs/dbraw/zinc/06/45/61/212064561.db2.gz XWTLQJOAIDMEFS-LFVJCYFKSA-N 0 1 347.437 4.131 50 30 EIEAMN C=C(C)[C@@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000004987599 210351502 /nfs/dbraw/zinc/35/15/02/210351502.db2.gz LBURCMZXGXUKNQ-QGZVFWFLSA-N 0 1 327.468 4.365 50 30 EIEAMN CN1CCN(c2ccccc2/C=N/c2ccc(C(C)(C)C)cc2)CC1 ZINC000000112666 563230508 /nfs/dbraw/zinc/23/05/08/563230508.db2.gz FRKSEMZCHDLTLM-HAVVHWLPSA-N 0 1 335.495 4.487 50 30 EIEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2Cl)cc1 ZINC000001248251 563381366 /nfs/dbraw/zinc/38/13/66/563381366.db2.gz IUXIRUKUSAUYII-VCHYOVAHSA-N 0 1 344.827 4.152 50 30 EIEAMN C(/C=C\c1ccco1)=N\N1CCN(Cc2cccc3ccccc32)CC1 ZINC000012360363 563658737 /nfs/dbraw/zinc/65/87/37/563658737.db2.gz GCWSUXUUONKCKR-YZIXTFEKSA-N 0 1 345.446 4.250 50 30 EIEAMN CC(C)(C)c1ccc(C(=O)ONC(=N)Cc2ccc(Cl)cc2)cc1 ZINC000004535922 563760197 /nfs/dbraw/zinc/76/01/97/563760197.db2.gz XWDWWYWNSNLOIA-UHFFFAOYSA-N 0 1 344.842 4.309 50 30 EIEAMN Cc1cccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000058265808 563941151 /nfs/dbraw/zinc/94/11/51/563941151.db2.gz SYJZVNUBCUOMPJ-KRWDZBQOSA-N 0 1 343.411 4.480 50 30 EIEAMN Cc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000058265808 563941152 /nfs/dbraw/zinc/94/11/52/563941152.db2.gz SYJZVNUBCUOMPJ-KRWDZBQOSA-N 0 1 343.411 4.480 50 30 EIEAMN C=CCOc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1OC ZINC000005174164 563999941 /nfs/dbraw/zinc/99/99/41/563999941.db2.gz UDUSICVFCVPAOF-XDHOZWIPSA-N 0 1 339.420 4.316 50 30 EIEAMN C=CCOc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1OC ZINC000005174164 563999942 /nfs/dbraw/zinc/99/99/42/563999942.db2.gz UDUSICVFCVPAOF-XDHOZWIPSA-N 0 1 339.420 4.316 50 30 EIEAMN N#CC(C(=O)c1cccc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000128838174 564051035 /nfs/dbraw/zinc/05/10/35/564051035.db2.gz HTVLXSQZWVJQLX-CQSZACIVSA-N 0 1 339.807 4.349 50 30 EIEAMN CC(C)CCNc1c(-c2cccc(Cl)c2)[nH]c2c(C#N)cnn12 ZINC000006768606 564097428 /nfs/dbraw/zinc/09/74/28/564097428.db2.gz MTTLYJYULOTJFE-UHFFFAOYSA-N 0 1 327.819 4.312 50 30 EIEAMN C#CCOc1ccc(Br)cc1CNCc1ccc(C)cc1 ZINC000006787864 564097800 /nfs/dbraw/zinc/09/78/00/564097800.db2.gz PMVUCHGTGLXRNS-UHFFFAOYSA-N 0 1 344.252 4.059 50 30 EIEAMN N#CC(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1nc2ccccc2o1 ZINC000065652467 564108736 /nfs/dbraw/zinc/10/87/36/564108736.db2.gz PKWMDHVWDJAVEX-SNVBAGLBSA-N 0 1 348.255 4.476 50 30 EIEAMN N#CC(C(=O)c1ccc(Br)o1)c1ccc2ccccc2n1 ZINC000089873143 564114514 /nfs/dbraw/zinc/11/45/14/564114514.db2.gz WUUDVTLJDIRALR-NSHDSACASA-N 0 1 341.164 4.080 50 30 EIEAMN N#C[C@H](C(=O)c1ccc(Br)o1)c1ccc2ccccc2n1 ZINC000089873143 564114515 /nfs/dbraw/zinc/11/45/15/564114515.db2.gz WUUDVTLJDIRALR-NSHDSACASA-N 0 1 341.164 4.080 50 30 EIEAMN Cc1nnc(SCCC(C#N)(c2ccccc2)c2ccccc2)[nH]1 ZINC000193067008 564118352 /nfs/dbraw/zinc/11/83/52/564118352.db2.gz WCNQSJLUUGCLEC-UHFFFAOYSA-N 0 1 334.448 4.105 50 30 EIEAMN CCCCCCCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000002309500 564132128 /nfs/dbraw/zinc/13/21/28/564132128.db2.gz QLSRNXUWEAQSSR-UHFFFAOYSA-N 0 1 344.411 4.016 50 30 EIEAMN Cc1csc(C(C#N)C(=O)c2cc(C)cc(Br)c2)n1 ZINC000155668340 564139662 /nfs/dbraw/zinc/13/96/62/564139662.db2.gz BPEAAXDTPZYERJ-GFCCVEGCSA-N 0 1 335.226 4.013 50 30 EIEAMN N#CC(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000230197898 564155081 /nfs/dbraw/zinc/15/50/81/564155081.db2.gz MZANEIGGLAHDEH-AVGNSLFASA-N 0 1 331.202 4.368 50 30 EIEAMN CCc1oc(C(=O)C(C#N)C(=O)Nc2cc(Cl)ccc2C)cc1C ZINC000101652926 568417305 /nfs/dbraw/zinc/41/73/05/568417305.db2.gz UYWUWAHASODRFG-CYBMUJFWSA-N 0 1 344.798 4.073 50 30 EIEAMN C=C(C)COc1cccc(CN[C@@H](C)c2c(C)nn(CC)c2C)c1 ZINC000055284384 214302252 /nfs/dbraw/zinc/30/22/52/214302252.db2.gz ZZVJVWZZWUKIMZ-HNNXBMFYSA-N 0 1 327.472 4.326 50 30 EIEAMN C=CCN(Cc1ccc(C#CC(C)(C)O)s1)Cc1ccccc1C ZINC000055402189 214320554 /nfs/dbraw/zinc/32/05/54/214320554.db2.gz HBICABUKLWDNMD-UHFFFAOYSA-N 0 1 339.504 4.367 50 30 EIEAMN O=C(CC=Nc1ccc(Cl)cn1)c1ccc(Br)cc1 ZINC000100634547 219103791 /nfs/dbraw/zinc/10/37/91/219103791.db2.gz XELARUUIJDVDCC-FPLPWBNLSA-N 0 1 337.604 4.306 50 30 EIEAMN COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2O)c1OC ZINC000004367796 210179816 /nfs/dbraw/zinc/17/98/16/210179816.db2.gz CQQDEJGEKATKBY-ACCUITESSA-N 0 1 334.371 4.459 50 30 EIEAMN Oc1c(Cl)cc(Cl)c2ccc(NN=Cc3ccncc3)nc12 ZINC000003909628 210091552 /nfs/dbraw/zinc/09/15/52/210091552.db2.gz JZUNAOHVNOCBJA-UFWORHAWSA-N 0 1 333.178 4.088 50 30 EIEAMN O=c1[nH]c(=S)[nH]nc1-c1ccccc1N=Cc1ccc(Cl)cc1 ZINC000102301923 219193432 /nfs/dbraw/zinc/19/34/32/219193432.db2.gz VLEQFMRQJPVOEV-GIJQJNRQSA-N 0 1 342.811 4.311 50 30 EIEAMN Nc1ccccc1/N=C/c1cc(Br)cc(Cl)c1O ZINC000000226612 209496604 /nfs/dbraw/zinc/49/66/04/209496604.db2.gz YBLPYNGMXUILJA-REZTVBANSA-N 0 1 325.593 4.141 50 30 EIEAMN Oc1ccc(C=NNc2ccc3ccccc3n2)cc1Br ZINC000020110793 212102377 /nfs/dbraw/zinc/10/23/77/212102377.db2.gz VEFGVDRHKMWGGT-VCHYOVAHSA-N 0 1 342.196 4.149 50 30 EIEAMN C=CCc1c(C)nc(-c2ccccc2)nc1NN=Cc1ccncc1 ZINC000004154652 519121391 /nfs/dbraw/zinc/12/13/91/519121391.db2.gz JJRKCJKZOGFYPI-HYARGMPZSA-N 0 1 329.407 4.022 50 30 EIEAMN CCOc1ccccc1C=Nn1c(=S)[nH]nc1-c1cccc(C)c1 ZINC000005907018 564093338 /nfs/dbraw/zinc/09/33/38/564093338.db2.gz YNEMCIPVERVYMO-XDHOZWIPSA-N 0 1 338.436 4.197 50 30 EIEAMN CCCc1cc(Nc2ccncc2)n2c3ccccc3nc2c1C#N ZINC000000521620 564133360 /nfs/dbraw/zinc/13/33/60/564133360.db2.gz SJISEAXGGIVPQY-UHFFFAOYSA-N 0 1 327.391 4.450 50 30 EIEAMN C[C@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1cccc2ccccc21 ZINC000328587698 564136543 /nfs/dbraw/zinc/13/65/43/564136543.db2.gz FLCAEJSISQNYSH-HNNXBMFYSA-N 0 1 348.450 4.418 50 30 EIEAMN COc1ccc(-c2csc(C(C#N)C(=O)c3cncc(C)c3)n2)cc1 ZINC000132097381 564153368 /nfs/dbraw/zinc/15/33/68/564153368.db2.gz DPJSRMUFODSYAF-MRXNPFEDSA-N 0 1 349.415 4.012 50 30 EIEAMN COc1ccc(-c2csc([C@H](C#N)C(=O)c3cncc(C)c3)n2)cc1 ZINC000132097381 564153369 /nfs/dbraw/zinc/15/33/69/564153369.db2.gz DPJSRMUFODSYAF-MRXNPFEDSA-N 0 1 349.415 4.012 50 30 EIEAMN CC(C)c1csc(C(C#N)C(=O)C=Cc2ccc(Cl)nc2)n1 ZINC000098053216 1041103380 /nfs/dbraw/zinc/10/33/80/1041103380.db2.gz UPLSLOVZOQRNLB-KTLBGCOUSA-N 0 1 331.828 4.205 50 30 EIEAMN Cc1cc(=O)[nH]c(SCc2c(Cl)cccc2Cl)c1C#N ZINC000004600208 210230648 /nfs/dbraw/zinc/23/06/48/210230648.db2.gz XEFOKPDWHHWCCP-UHFFFAOYSA-N 0 1 325.220 4.154 50 30 EIEAMN COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1OC ZINC000004029490 210102897 /nfs/dbraw/zinc/10/28/97/210102897.db2.gz AOXZKEBKRSOYMQ-YRNVUSSQSA-N 0 1 334.371 4.459 50 30 biogenic EIEAMN Cc1ccc(-c2nc(SCCc3ccccc3)[nH]c(=O)c2C#N)cc1 ZINC000011691859 211235982 /nfs/dbraw/zinc/23/59/82/211235982.db2.gz JXIQTGQLJMTNLP-UHFFFAOYSA-N 0 1 347.443 4.364 50 30 EIEAMN Fc1ccccc1C=Nn1c(=S)[nH]nc1-c1cccc(Cl)c1 ZINC000005998095 210575542 /nfs/dbraw/zinc/57/55/42/210575542.db2.gz WTLZHZYPJOIUFF-GIJQJNRQSA-N 0 1 332.791 4.282 50 30 EIEAMN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc2ccccc2c1 ZINC000007785836 258053300 /nfs/dbraw/zinc/05/33/00/258053300.db2.gz FNSALFZCCRNVFO-INIZCTEOSA-N 0 1 343.430 4.170 50 30 EIEAMN C(=Nc1nnc[nH]1)c1ccccc1OCc1cccc2ccccc21 ZINC000004510769 518379215 /nfs/dbraw/zinc/37/92/15/518379215.db2.gz FNVVIDGAZDAGLW-CIAFOILYSA-N 0 1 328.375 4.288 50 30 EIEAMN CCC1S/C(=N\N=C\c2c3ccccc3cc3ccccc32)NC1=O ZINC000005552401 563539136 /nfs/dbraw/zinc/53/91/36/563539136.db2.gz AGUYRBQUTLKJCE-AGKWGAAGSA-N 0 1 347.443 4.325 50 30 EIEAMN N#Cc1cccc(-c2nccn2CCc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000071754548 563982992 /nfs/dbraw/zinc/98/29/92/563982992.db2.gz DITNRTTTZLFJKC-UHFFFAOYSA-N 0 1 347.809 4.194 50 30 EIEAMN O=C(C(=CNc1ccccc1)C(=O)C(F)(F)F)c1cccs1 ZINC000102920802 564020918 /nfs/dbraw/zinc/02/09/18/564020918.db2.gz VFUWSFOADKRVGX-PKNBQFBNSA-N 0 1 325.311 4.058 50 30 EIEAMN COc1ccc(Oc2ccc(CNCc3cccc(C#N)c3)cn2)cc1 ZINC000047719830 564029664 /nfs/dbraw/zinc/02/96/64/564029664.db2.gz DABPPNVUIMKJNP-UHFFFAOYSA-N 0 1 345.402 4.044 50 30 EIEAMN CC(C=Nn1c(=S)[nH]nc1-c1ccc(F)cc1)=Cc1ccco1 ZINC000005843646 564056594 /nfs/dbraw/zinc/05/65/94/564056594.db2.gz SCWINNPUTGVCOJ-SLCIPMMZSA-N 0 1 328.372 4.277 50 30 EIEAMN N#C[C@H](C(=O)C1c2ccccc2Oc2ccccc21)c1ccccn1 ZINC000006831267 564099171 /nfs/dbraw/zinc/09/91/71/564099171.db2.gz HNGNLLARLWHQII-INIZCTEOSA-N 0 1 326.355 4.196 50 30 EIEAMN N#CC(C(=O)c1ncoc1-c1cccs1)c1ccc2ccccc2n1 ZINC000089873141 564114482 /nfs/dbraw/zinc/11/44/82/564114482.db2.gz PMUFFHWDNKZZCV-ZDUSSCGKSA-N 0 1 345.383 4.441 50 30 EIEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2ccccc2Cl)c1 ZINC000006055717 564116386 /nfs/dbraw/zinc/11/63/86/564116386.db2.gz RWSJDDRYTSLTPA-VCHYOVAHSA-N 0 1 328.828 4.452 50 30 EIEAMN CCOc1ccc2cc(C(=O)C(C#N)c3nc4ccccc4o3)[nH]c2c1 ZINC000054736545 564122866 /nfs/dbraw/zinc/12/28/66/564122866.db2.gz PSVYRMZTACVYGH-AWEZNQCLSA-N 0 1 345.358 4.198 50 30 EIEAMN C[C@@H](c1ccc(-c2ccc(C#N)c(Cl)c2)cc1)N1CCOCC1 ZINC000426545179 564135077 /nfs/dbraw/zinc/13/50/77/564135077.db2.gz YFMWMYALSRJGKT-AWEZNQCLSA-N 0 1 326.827 4.272 50 30 EIEAMN COc1ccccc1[C@@H](NC(=O)C(F)(F)C(F)F)c1ccccn1 ZINC000328590520 564136720 /nfs/dbraw/zinc/13/67/20/564136720.db2.gz RXFWDWXZCXPGGJ-CYBMUJFWSA-N 0 1 342.292 4.037 50 30 EIEAMN N#CC(C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccccn1 ZINC000067601487 564166168 /nfs/dbraw/zinc/16/61/68/564166168.db2.gz LJBZLAFZJLRPFY-AWEZNQCLSA-N 0 1 330.309 4.008 50 30 EIEAMN CCOc1ccc(NC(=O)C([O-])=CC(=O)c2ccc(Cl)cc2)cc1 ZINC000101355440 219123771 /nfs/dbraw/zinc/12/37/71/219123771.db2.gz PYNQJQGXYSFWEM-BOPFTXTBSA-N 0 1 345.782 4.002 50 30 EIEAMN CCOc1ccc(NC(=O)C(O)=CC(=O)c2ccc(Cl)cc2)cc1 ZINC000101355440 219123774 /nfs/dbraw/zinc/12/37/74/219123774.db2.gz PYNQJQGXYSFWEM-BOPFTXTBSA-N 0 1 345.782 4.002 50 30 EIEAMN CCCCN1CCc2nc[nH]c2[C@H]1c1ccc(-c2ccccc2C#N)o1 ZINC000072423238 216211200 /nfs/dbraw/zinc/21/12/00/216211200.db2.gz UXZRUSJTFIPGEX-OAQYLSRUSA-N 0 1 346.434 4.289 50 30 EIEAMN CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000000047169 209389818 /nfs/dbraw/zinc/38/98/18/209389818.db2.gz YILAAQFYBWFNFI-QGZVFWFLSA-N 0 1 335.403 4.202 50 30 EIEAMN C=CCOc1ccc(CN[C@H](C)c2c(C)nn(C)c2C)cc1Cl ZINC000078553121 217075074 /nfs/dbraw/zinc/07/50/74/217075074.db2.gz ZSZNUWLYTDRZQF-GFCCVEGCSA-N 0 1 333.863 4.106 50 30 EIEAMN CCc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2C#N)cc1 ZINC000012413441 211374005 /nfs/dbraw/zinc/37/40/05/211374005.db2.gz DXSUOHJSPHJRLK-UHFFFAOYSA-N 0 1 345.358 4.051 50 30 EIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000009110556 211040320 /nfs/dbraw/zinc/04/03/20/211040320.db2.gz VAXAGYSDSDNHFI-IBGZPJMESA-N 0 1 349.430 4.373 50 30 EIEAMN N#CC(C#N)[C@@H](c1c(=O)[nH][nH]c1-c1ccccc1)c1ccc(Cl)cc1 ZINC000004813418 210284887 /nfs/dbraw/zinc/28/48/87/210284887.db2.gz WMWLHSODLDXLIS-INIZCTEOSA-N 0 1 348.793 4.231 50 30 EIEAMN Fc1ccccc1C=NNc1nc(-c2cccnc2)nc2ccccc21 ZINC000004811717 210283775 /nfs/dbraw/zinc/28/37/75/210283775.db2.gz QGVDWJWWMNFPLP-YDZHTSKRSA-N 0 1 343.365 4.277 50 30 EIEAMN Cc1ccccc1C(=O)ONC(=N)CCSc1ccc(Cl)cc1 ZINC000004389471 525066649 /nfs/dbraw/zinc/06/66/49/525066649.db2.gz UCIZQSJMYSVLDI-UHFFFAOYSA-N 0 1 348.855 4.260 50 30 EIEAMN CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C)cc2)cc1 ZINC000001240984 563381025 /nfs/dbraw/zinc/38/10/25/563381025.db2.gz ZYOOZLMFCLBLJW-XDHOZWIPSA-N 0 1 338.436 4.197 50 30 EIEAMN Cc1csc(C(C#N)C(=O)c2cccnc2SC2CCCC2)n1 ZINC000073087275 563994788 /nfs/dbraw/zinc/99/47/88/563994788.db2.gz OQBWIQUUCOFLBO-AWEZNQCLSA-N 0 1 343.477 4.371 50 30 EIEAMN CCc1ccc(/N=C2\NC(=O)C(Cc3cccc(Cl)c3)S2)cc1 ZINC000005809643 564033158 /nfs/dbraw/zinc/03/31/58/564033158.db2.gz DCRAFLQIEVIWKT-INIZCTEOSA-N 0 1 344.867 4.364 50 30 EIEAMN CCc1ccc(/N=C2\NC(=O)C(Cc3cccc(Cl)c3)S2)cc1 ZINC000005809667 564033163 /nfs/dbraw/zinc/03/31/63/564033163.db2.gz DCRAFLQIEVIWKT-MRXNPFEDSA-N 0 1 344.867 4.364 50 30 EIEAMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1cccc2ccccc21 ZINC000003259932 564058770 /nfs/dbraw/zinc/05/87/70/564058770.db2.gz BCLZKFVTBSVMKN-SFHVURJKSA-N 0 1 339.398 4.145 50 30 aggregator EIEAMN COCc1cc(C)nc2[nH]nc(N=Cc3ccc(Cl)cc3Cl)c21 ZINC000252625974 564123249 /nfs/dbraw/zinc/12/32/49/564123249.db2.gz QTGZKIKIWIWZMS-UHFFFAOYSA-N 0 1 349.221 4.470 50 30 EIEAMN CC(C)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000000107218 564132845 /nfs/dbraw/zinc/13/28/45/564132845.db2.gz UTWHUWNLJDBYFR-UHFFFAOYSA-N 0 1 334.828 4.136 50 30 EIEAMN COc1ccc(C(C)=NNc2nc3ccccc3s2)c(OC)c1 ZINC000245225903 564168738 /nfs/dbraw/zinc/16/87/38/564168738.db2.gz ZIKKJSCRQJAWHG-UHFFFAOYSA-N 0 1 327.409 4.150 50 30 EIEAMN FC(F)Oc1ccccc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000004058891 210110312 /nfs/dbraw/zinc/11/03/12/210110312.db2.gz WEFMPWGBGOVKCV-QPSGOUHRSA-N 0 1 331.244 4.148 50 30 EIEAMN 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