smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)c(Cl)c1)NCC2 ZINC000022018370 1020870280 /nfs/dbraw/zinc/87/02/80/1020870280.db2.gz VWRZKNBJHMIEMQ-QGZVFWFLSA-N 0 1 338.234 4.246 50 0 EIAAMN CCCc1noc([C@@H](C)Sc2nc(C=Cc3ccccc3)n[nH]2)n1 ZINC000097002872 1039886655 /nfs/dbraw/zinc/88/66/55/1039886655.db2.gz PPFVZLMJYZCGDF-NLYDNYMLSA-N 0 1 341.440 4.164 50 0 EIAAMN Cc1ccc(-c2nc(CN3CC[C@]4(C3)CCCOC4)cs2)cc1 ZINC000792941792 1040313957 /nfs/dbraw/zinc/31/39/57/1040313957.db2.gz XENQXUNBTSIPDW-IBGZPJMESA-N 0 1 328.481 4.121 50 0 EIAAMN c1ccc([C@@H]2CN(Cc3ccc(-c4ccccn4)cc3)CCO2)cc1 ZINC000141832156 1044849767 /nfs/dbraw/zinc/84/97/67/1044849767.db2.gz AFRZZFTXBCQSHJ-QFIPXVFZSA-N 0 1 330.431 4.322 50 0 EIAAMN Cc1cc(CN[C@@H](c2nccn2C)C2CC2)ccc1Oc1cccnc1 ZINC000353039135 1049202727 /nfs/dbraw/zinc/20/27/27/1049202727.db2.gz PBRAKUWQOZHFGS-HXUWFJFHSA-N 0 1 348.450 4.157 50 0 EIAAMN C[C@H](NC(=O)c1ccoc1C1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000585079823 1049383321 /nfs/dbraw/zinc/38/33/21/1049383321.db2.gz SAKVYLDTMRQXOM-VIFPVBQESA-N 0 1 329.787 4.178 50 0 EIAAMN C[C@H](Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1)C(=O)c1ccccc1 ZINC000952881415 1049680693 /nfs/dbraw/zinc/68/06/93/1049680693.db2.gz LTVATGBSPUMEEQ-ZDUSSCGKSA-N 0 1 349.459 4.324 50 0 EIAAMN CCSc1ccccc1NC(=O)c1ccc(CN2CCCC2)o1 ZINC000952979153 1049686874 /nfs/dbraw/zinc/68/68/74/1049686874.db2.gz HJJNPTQKYHDXGY-UHFFFAOYSA-N 0 1 330.453 4.240 50 0 EIAAMN Cc1cnc(C)n1C[C@@H]1CCCN(C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000581808053 1060017555 /nfs/dbraw/zinc/01/75/55/1060017555.db2.gz PENTWKFSSHAKPZ-GOSISDBHSA-N 0 1 340.471 4.061 50 0 EIAAMN Cc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3F)[nH]c2c1 ZINC000006908893 201704874 /nfs/dbraw/zinc/70/48/74/201704874.db2.gz AWHLRTRCEDMODG-UHFFFAOYSA-N 0 1 349.818 4.395 50 0 EIAAMN Cc1ccc(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547720 202009001 /nfs/dbraw/zinc/00/90/01/202009001.db2.gz IUXQXCKMOGJLQO-GOSISDBHSA-N 0 1 336.479 4.277 50 0 EIAAMN CCc1ccc(CN2CCN(Cc3ccc(SC)cc3)CC2)cc1 ZINC000019842329 202023203 /nfs/dbraw/zinc/02/32/03/202023203.db2.gz MDFLWFCFFITZCN-UHFFFAOYSA-N 0 1 340.536 4.289 50 0 EIAAMN COc1cc(CN2CCC[C@@H]2c2c(C)noc2C)ccc1OC(C)C ZINC000021720284 202069165 /nfs/dbraw/zinc/06/91/65/202069165.db2.gz XPXVJVJNTWZUBM-QGZVFWFLSA-N 0 1 344.455 4.424 50 0 EIAAMN Fc1ccccc1-c1n[nH]c(SCc2cc(-c3ccco3)on2)n1 ZINC000023880930 202109820 /nfs/dbraw/zinc/10/98/20/202109820.db2.gz PXMUFRZZOQNPCZ-UHFFFAOYSA-N 0 1 342.355 4.151 50 0 EIAAMN Cc1oc(-c2cccc(C)c2)nc1CN(CC1CC1)C[C@@H]1CCCO1 ZINC000012303391 202113528 /nfs/dbraw/zinc/11/35/28/202113528.db2.gz MINBZJCVMXIZJB-IBGZPJMESA-N 0 1 340.467 4.349 50 0 EIAAMN COc1ccc(OC)c(CN[C@H](C)c2cc3cccc(OC)c3o2)c1 ZINC000028925821 202178681 /nfs/dbraw/zinc/17/86/81/202178681.db2.gz WNZNNQXYLMBCFI-CYBMUJFWSA-N 0 1 341.407 4.309 50 0 EIAAMN Cc1c(Cl)cccc1NC(=O)CN(C)[C@H]1CCc2ccccc21 ZINC000029482371 202187992 /nfs/dbraw/zinc/18/79/92/202187992.db2.gz RLXVWLYARMPNNF-SFHVURJKSA-N 0 1 328.843 4.206 50 0 EIAAMN c1ccc2c(c1)OCC[C@H]2NCc1ccc(OCc2ccncc2)cc1 ZINC000030545234 202196083 /nfs/dbraw/zinc/19/60/83/202196083.db2.gz ZJJSGEYAJNUMOP-OAQYLSRUSA-N 0 1 346.430 4.274 50 0 EIAAMN CC(C)c1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000032754926 202232571 /nfs/dbraw/zinc/23/25/71/202232571.db2.gz ZRZUUTBQHWZHKC-UHFFFAOYSA-N 0 1 327.808 4.403 50 0 EIAAMN Cc1ccc2[nH]nc(C(=O)N[C@H](c3cccs3)c3ccccc3)c2c1 ZINC000032814941 202235600 /nfs/dbraw/zinc/23/56/00/202235600.db2.gz GWVKEIMGZAKDFD-SFHVURJKSA-N 0 1 347.443 4.452 50 0 EIAAMN CCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)c1ccc(F)cc1F ZINC000034795007 202276256 /nfs/dbraw/zinc/27/62/56/202276256.db2.gz DYEVQURGLPNXED-UHFFFAOYSA-N 0 1 345.324 4.309 50 0 EIAAMN Cc1n[nH]c(CCc2ccccc2)c1NC(=O)c1cccc(Cl)c1 ZINC000034795303 202277653 /nfs/dbraw/zinc/27/76/53/202277653.db2.gz GWHULRFVSNTJLU-UHFFFAOYSA-N 0 1 339.826 4.409 50 0 EIAAMN COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(F)cc1 ZINC000004679237 201610497 /nfs/dbraw/zinc/61/04/97/201610497.db2.gz LWAIRIMGERZCEH-UHFFFAOYSA-N 0 1 343.377 4.087 50 0 EIAAMN c1c(CN(Cc2ccccn2)C2CCCCC2)onc1-c1cccnc1 ZINC000244707779 243064598 /nfs/dbraw/zinc/06/45/98/243064598.db2.gz KHKGOGMSUXPJMB-UHFFFAOYSA-N 0 1 348.450 4.467 50 0 EIAAMN COc1c(CNCc2cc3ccccc3s2)c(C(C)C)nn1C ZINC000065479726 202853071 /nfs/dbraw/zinc/85/30/71/202853071.db2.gz IZISOZMOJJXWAR-UHFFFAOYSA-N 0 1 329.469 4.057 50 0 EIAAMN c1nc(-c2ccccc2)c(-c2ccncc2)n1Cc1cc(C2CC2)n[nH]1 ZINC000067850412 202939965 /nfs/dbraw/zinc/93/99/65/202939965.db2.gz RBBSPRJYTXGMND-UHFFFAOYSA-N 0 1 341.418 4.261 50 0 EIAAMN CCc1c(NC(=O)c2cccc(NC(C)C)c2)[nH]nc1-c1ccncc1 ZINC000071897938 203143067 /nfs/dbraw/zinc/14/30/67/203143067.db2.gz JLXZCFOTBPPWCK-UHFFFAOYSA-N 0 1 349.438 4.107 50 0 EIAAMN O=C([O-])c1ccccc1[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000072165693 203179518 /nfs/dbraw/zinc/17/95/18/203179518.db2.gz DPVPMDVZDPYIJJ-INIZCTEOSA-N 0 1 348.402 4.029 50 0 EIAAMN O=C([O-])c1ccccc1[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000072165694 203180053 /nfs/dbraw/zinc/18/00/53/203180053.db2.gz DPVPMDVZDPYIJJ-MRXNPFEDSA-N 0 1 348.402 4.029 50 0 EIAAMN O=C(Nc1ccc2ccccc2c1)c1cc(-c2ccccc2O)n[nH]1 ZINC000072238539 203184524 /nfs/dbraw/zinc/18/45/24/203184524.db2.gz MDJBDIIHJQXTBV-UHFFFAOYSA-N 0 1 329.359 4.188 50 0 EIAAMN COc1cccc([C@@H]2CCCCN2Cc2ccnc(C(C)C)n2)c1 ZINC000072412454 203219383 /nfs/dbraw/zinc/21/93/83/203219383.db2.gz BQSYPTUOJIIZRS-IBGZPJMESA-N 0 1 325.456 4.336 50 0 EIAAMN CCC(CC)(CC(=O)OC)NCc1csc(-c2ccsc2)n1 ZINC000075103630 203300179 /nfs/dbraw/zinc/30/01/79/203300179.db2.gz VBOXEMYQAPZSOY-UHFFFAOYSA-N 0 1 338.498 4.083 50 0 EIAAMN Cc1ccc2n[nH]c(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)c2c1 ZINC000077407082 203386518 /nfs/dbraw/zinc/38/65/18/203386518.db2.gz YYZJQHBXGFGYBW-SFHVURJKSA-N 0 1 337.398 4.378 50 0 EIAAMN Brc1ccccc1[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000019608355 212052002 /nfs/dbraw/zinc/05/20/02/212052002.db2.gz DJFBBNZOXCQBNF-MRXNPFEDSA-N 0 1 327.225 4.166 50 0 EIAAMN Cc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000043357077 204249633 /nfs/dbraw/zinc/24/96/33/204249633.db2.gz WEPGTKVGOIVEQA-OAHLLOKOSA-N 0 1 337.876 4.134 50 0 EIAAMN Cc1ccccc1CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000128433700 205146872 /nfs/dbraw/zinc/14/68/72/205146872.db2.gz FKRDKACRRHGBPC-MRXNPFEDSA-N 0 1 346.356 4.011 50 0 EIAAMN COc1ccc([C@H](C)NCc2ccc(C)cn2)cc1Br ZINC000095416619 218356075 /nfs/dbraw/zinc/35/60/75/218356075.db2.gz JISIRINNLXALMM-LBPRGKRZSA-N 0 1 335.245 4.012 50 0 EIAAMN COc1ccc(Cl)cc1[C@H](C)N[C@@H](CCO)c1cccs1 ZINC000095423030 564140133 /nfs/dbraw/zinc/14/01/33/564140133.db2.gz NCBVCTKAWAGWEQ-FZMZJTMJSA-N 0 1 325.861 4.184 50 0 EIAAMN CCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000246549 563266185 /nfs/dbraw/zinc/26/61/85/563266185.db2.gz YDNMEXKVMQPSIC-UHFFFAOYSA-N 0 1 330.236 4.357 50 0 EIAAMN CCc1ccccc1NS(=O)(=O)c1cc(Cl)c(C)cc1OC ZINC000000528260 563341748 /nfs/dbraw/zinc/34/17/48/563341748.db2.gz AXRYIPWGCLDHQF-UHFFFAOYSA-N 0 1 339.844 4.020 50 0 EIAAMN Clc1ccc(OCCN2CCCCCC2)c(Br)c1 ZINC000004480179 563503231 /nfs/dbraw/zinc/50/32/31/563503231.db2.gz WPAIXDQZVNWTND-UHFFFAOYSA-N 0 1 332.669 4.357 50 0 EIAAMN COc1cc(CNCc2ccco2)ccc1OCc1cccc(C)c1 ZINC000005019492 563518989 /nfs/dbraw/zinc/51/89/89/563518989.db2.gz IXSPJQKXKSXPKC-UHFFFAOYSA-N 0 1 337.419 4.465 50 0 EIAAMN FC(F)(F)c1cnc(Sc2n[nH]c(=S)s2)c(Cl)c1 ZINC000005753703 563549175 /nfs/dbraw/zinc/54/91/75/563549175.db2.gz IRIOOYJKKQSGSF-UHFFFAOYSA-N 0 1 329.781 4.045 50 0 EIAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccccc2)n1 ZINC000006464094 563568891 /nfs/dbraw/zinc/56/88/91/563568891.db2.gz AYPJWSDBHRDTJL-UHFFFAOYSA-N 0 1 331.828 4.426 50 0 EIAAMN Cc1ccc2nc(SCC(=O)Nc3ccccc3Cl)[nH]c2c1 ZINC000006705488 563581175 /nfs/dbraw/zinc/58/11/75/563581175.db2.gz RVIIOVOADDWYQC-UHFFFAOYSA-N 0 1 331.828 4.256 50 0 EIAAMN Clc1ccc(OCCCc2nnc(-c3cccnc3)[nH]2)c(Cl)c1 ZINC000007986359 563618533 /nfs/dbraw/zinc/61/85/33/563618533.db2.gz HIYQXHDIWYNNJF-UHFFFAOYSA-N 0 1 349.221 4.185 50 0 EIAAMN CSc1cccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c1 ZINC000008558684 563632281 /nfs/dbraw/zinc/63/22/81/563632281.db2.gz JMFVQJPFTLJCQD-UHFFFAOYSA-N 0 1 343.477 4.324 50 0 EIAAMN CCOc1ccc2[nH]c(C)c(CN(C)Cc3ccccc3)c(=O)c2c1 ZINC000008571799 563632592 /nfs/dbraw/zinc/63/25/92/563632592.db2.gz PKCUHGLQEIXMIJ-UHFFFAOYSA-N 0 1 336.435 4.280 50 0 EIAAMN O=C(c1cccc2ccccc21)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000011821363 563651412 /nfs/dbraw/zinc/65/14/12/563651412.db2.gz UIURJAPONCETKF-IBGZPJMESA-N 0 1 330.431 4.330 50 0 EIAAMN O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000012300068 563657250 /nfs/dbraw/zinc/65/72/50/563657250.db2.gz RGFSVZWCNHXBLS-INIZCTEOSA-N 0 1 329.827 4.141 50 0 EIAAMN CC(C)c1cc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)n[nH]1 ZINC000012306617 563657508 /nfs/dbraw/zinc/65/75/08/563657508.db2.gz OTHKIYSDVBLHIH-OAHLLOKOSA-N 0 1 345.874 4.281 50 0 EIAAMN O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000012432877 563660888 /nfs/dbraw/zinc/66/08/88/563660888.db2.gz NUIGUSQLVUEDRL-MRXNPFEDSA-N 0 1 348.368 4.195 50 0 EIAAMN COCCCC1CCN(Cc2nc(-c3ccc(F)cc3)oc2C)CC1 ZINC000012751621 563670177 /nfs/dbraw/zinc/67/01/77/563670177.db2.gz VHQZDOMJPFHGDG-UHFFFAOYSA-N 0 1 346.446 4.428 50 0 EIAAMN C[C@@H](C(=O)Nc1cccc(F)c1)N(C)Cc1ccc2ccccc2c1 ZINC000012986147 563682098 /nfs/dbraw/zinc/68/20/98/563682098.db2.gz PYBUIPIJBCMQFU-HNNXBMFYSA-N 0 1 336.410 4.438 50 0 EIAAMN Cc1n[nH]c(C2CC2)c1-c1cc(NCc2ccncc2)nc2[nH]ccc21 ZINC000072127264 563863772 /nfs/dbraw/zinc/86/37/72/563863772.db2.gz JQVDKLUXRUVEJY-UHFFFAOYSA-N 0 1 344.422 4.146 50 0 EIAAMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccccc1Cl ZINC000044900803 563927751 /nfs/dbraw/zinc/92/77/51/563927751.db2.gz WXQDZTPGLICBBV-INIZCTEOSA-N 0 1 341.798 4.320 50 0 EIAAMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccc(Cl)c1 ZINC000044900833 563927776 /nfs/dbraw/zinc/92/77/76/563927776.db2.gz DNVAEJJNFQADCA-INIZCTEOSA-N 0 1 341.798 4.320 50 0 EIAAMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(Cl)cc1 ZINC000044916358 563928286 /nfs/dbraw/zinc/92/82/86/563928286.db2.gz MLBHXIKYVLSHTO-MRXNPFEDSA-N 0 1 341.798 4.320 50 0 EIAAMN C[C@@H](c1ccc(C(=O)NCc2cc(F)ccc2F)o1)N1CCCCC1 ZINC000055255140 563934108 /nfs/dbraw/zinc/93/41/08/563934108.db2.gz RSDKMKMMFSUWJH-ZDUSSCGKSA-N 0 1 348.393 4.035 50 0 EIAAMN CCCCc1ncc(CN(Cc2ccsc2)Cc2cccnc2)[nH]1 ZINC000055403631 563934796 /nfs/dbraw/zinc/93/47/96/563934796.db2.gz BUXMNSNJHKDWBC-UHFFFAOYSA-N 0 1 340.496 4.411 50 0 EIAAMN CCC[C@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)CC1 ZINC000058424296 563945896 /nfs/dbraw/zinc/94/58/96/563945896.db2.gz PZTNKADJDHGHSA-LBPRGKRZSA-N 0 1 345.468 4.040 50 0 EIAAMN FC(F)Oc1ccc2c(c1)CCC[C@H]2NCc1cccc2c1OCO2 ZINC000058477530 563946699 /nfs/dbraw/zinc/94/66/99/563946699.db2.gz RZRRQZSCVCEACS-MRXNPFEDSA-N 0 1 347.361 4.184 50 0 EIAAMN Cc1csc([C@@H](N[C@@H](C)c2ccc3c(c2)OCCCO3)C2CC2)n1 ZINC000096478504 563955160 /nfs/dbraw/zinc/95/51/60/563955160.db2.gz ZEFBQNGFORPTFK-UGSOOPFHSA-N 0 1 344.480 4.415 50 0 EIAAMN c1cc([C@@H]2CCCO2)sc1-c1nnc(CCc2ccccc2)[nH]1 ZINC000065468299 563961250 /nfs/dbraw/zinc/96/12/50/563961250.db2.gz ZMLURZGERLWQOR-AWEZNQCLSA-N 0 1 325.437 4.170 50 0 EIAAMN c1cc([C@@H]2CCCO2)sc1-c1nc(CCc2ccccc2)n[nH]1 ZINC000065468299 563961251 /nfs/dbraw/zinc/96/12/51/563961251.db2.gz ZMLURZGERLWQOR-AWEZNQCLSA-N 0 1 325.437 4.170 50 0 EIAAMN Fc1ccc(Cn2ncc3c2CN(c2ccnc4ccccc42)C3)cc1 ZINC000067885155 563963014 /nfs/dbraw/zinc/96/30/14/563963014.db2.gz KDDBZWULYPWLDH-UHFFFAOYSA-N 0 1 344.393 4.139 50 0 EIAAMN COc1cccc(CNc2ncc(-c3ccc(C)cc3)n2C)c1OC ZINC000004678545 563963874 /nfs/dbraw/zinc/96/38/74/563963874.db2.gz CCHJZBDWQDWYPV-UHFFFAOYSA-N 0 1 337.423 4.025 50 0 EIAAMN COc1ccc2nc(SCc3cc4c(c(Cl)c3)OCO4)[nH]c2c1 ZINC000011321917 563973490 /nfs/dbraw/zinc/97/34/90/563973490.db2.gz NVCQBAJDWGYMQD-UHFFFAOYSA-N 0 1 348.811 4.246 50 0 EIAAMN O=C(c1ccc(CN2CCCC2)o1)N1CCCCC[C@@H]1c1ccco1 ZINC000097553300 563981690 /nfs/dbraw/zinc/98/16/90/563981690.db2.gz VCWSYMWTIFBVNA-QGZVFWFLSA-N 0 1 342.439 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/nfs/dbraw/zinc/85/53/08/1039855308.db2.gz OGEHPUJJOJHFLD-FPLPWBNLSA-N 0 1 345.424 4.151 50 0 EIAAMN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccc(F)cc3)n[nH]2)cc1 ZINC000029980318 1046000025 /nfs/dbraw/zinc/00/00/25/1046000025.db2.gz LNTIHSULZPHMNA-CQSZACIVSA-N 0 1 337.398 4.357 50 0 EIAAMN Cc1n[nH]cc1C1CCN(Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000585081475 1049390521 /nfs/dbraw/zinc/39/05/21/1049390521.db2.gz VFJUUZTVRIVUMP-UHFFFAOYSA-N 0 1 337.423 4.483 50 0 EIAAMN Cc1cc2ccccc2c(N2CCC(c3noc(C(C)C)n3)CC2)n1 ZINC000585085560 1049459997 /nfs/dbraw/zinc/45/99/97/1049459997.db2.gz USGGINRTVFKZBR-UHFFFAOYSA-N 0 1 336.439 4.434 50 0 EIAAMN Cc1cccc(N2CCC([NH2+]Cc3cccc([O-])c3Cl)CC2)c1 ZINC000952976751 1049686186 /nfs/dbraw/zinc/68/61/86/1049686186.db2.gz XXWXMBJVOPZYAI-UHFFFAOYSA-N 0 1 330.859 4.113 50 0 EIAAMN Cc1cnc(C2CC2)n1[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000581805522 1060015848 /nfs/dbraw/zinc/01/58/48/1060015848.db2.gz BKNJRCXCGPQJOR-SFHVURJKSA-N 0 1 329.488 4.203 50 0 EIAAMN Cc1ccccc1CN1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019360220 202005456 /nfs/dbraw/zinc/00/54/56/202005456.db2.gz NTJSXLFPKFFCFG-UHFFFAOYSA-N 0 1 348.412 4.332 50 0 EIAAMN O=C(c1c(CN2CCCCC2)oc2ccc(O)cc21)c1ccccc1 ZINC000019925176 202026822 /nfs/dbraw/zinc/02/68/22/202026822.db2.gz HEDKCZYKRPJYSG-UHFFFAOYSA-N 0 1 335.403 4.355 50 0 EIAAMN CCOc1ccc(CN2CCC[C@H]2c2c(C)noc2CC)cc1OC ZINC000021720954 202069362 /nfs/dbraw/zinc/06/93/62/202069362.db2.gz FITYSZFLZBSASA-INIZCTEOSA-N 0 1 344.455 4.290 50 0 EIAAMN Cc1ccc2c(cccc2NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000038488636 202136356 /nfs/dbraw/zinc/13/63/56/202136356.db2.gz UZDWHZMQJFDYGI-UHFFFAOYSA-N 0 1 346.365 4.325 50 0 EIAAMN Cc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000027583886 202157243 /nfs/dbraw/zinc/15/72/43/202157243.db2.gz FLFCJWNVDLHLTR-IBGZPJMESA-N 0 1 342.870 4.215 50 0 EIAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCCCC1)c1ccco1 ZINC000027582637 202157273 /nfs/dbraw/zinc/15/72/73/202157273.db2.gz VKTXWIVHFAZLNV-QGZVFWFLSA-N 0 1 346.858 4.280 50 0 EIAAMN CN(Cc1nc(-c2cccs2)no1)CC12CC3CC(CC(C3)C1)C2 ZINC000027782623 202160944 /nfs/dbraw/zinc/16/09/44/202160944.db2.gz SRMDRDSPRQSXLY-UHFFFAOYSA-N 0 1 343.496 4.446 50 0 EIAAMN Fc1ccccc1OCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000028807133 202176451 /nfs/dbraw/zinc/17/64/51/202176451.db2.gz UWHBAZVUTKSTNF-UHFFFAOYSA-N 0 1 349.818 4.435 50 0 EIAAMN Cc1nccc(-c2cccc(NC(=O)c3cc(Cl)ccc3O)c2)n1 ZINC000031801412 202209257 /nfs/dbraw/zinc/20/92/57/202209257.db2.gz YLJHWHRYZLDSOZ-UHFFFAOYSA-N 0 1 339.782 4.063 50 0 EIAAMN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cc(-c2ccccc2)no1 ZINC000071876677 202352565 /nfs/dbraw/zinc/35/25/65/202352565.db2.gz BQROWEDMRDIXPZ-IBGZPJMESA-N 0 1 336.439 4.029 50 0 EIAAMN O=C(C=Cc1ccccc1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000051042305 201125370 /nfs/dbraw/zinc/12/53/70/201125370.db2.gz RFLWFSGVPPZBEE-YFWYWMRJSA-N 0 1 333.391 4.066 50 0 EIAAMN Cc1nc(CSc2nc(C=Cc3ccc(F)cc3)n[nH]2)oc1C ZINC000096310762 201376622 /nfs/dbraw/zinc/37/66/22/201376622.db2.gz YDDUBUZYNYNBIP-YVMONPNESA-N 0 1 330.388 4.011 50 0 EIAAMN CCOc1ccc(-c2cc(C(=O)Nc3cccc(F)c3C)[nH]n2)cc1 ZINC000051315537 202639126 /nfs/dbraw/zinc/63/91/26/202639126.db2.gz XIRBGDLIADEEKF-UHFFFAOYSA-N 0 1 339.370 4.175 50 0 EIAAMN Cc1ccc(-c2cc(C(=O)N3CC[C@H]4CCCC[C@H]4C3)n[nH]2)s1 ZINC000023108135 212348448 /nfs/dbraw/zinc/34/84/48/212348448.db2.gz XFYMKCYYXICNAE-KGLIPLIRSA-N 0 1 329.469 4.099 50 0 EIAAMN COc1cc(OC)c(OC)cc1CN[C@@H](C)c1cccc(Cl)c1 ZINC000022781609 212324210 /nfs/dbraw/zinc/32/42/10/212324210.db2.gz RJORDFZYVWBMQC-LBPRGKRZSA-N 0 1 335.831 4.217 50 0 EIAAMN Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000000101859 201434462 /nfs/dbraw/zinc/43/44/62/201434462.db2.gz ZQPJPYCOKSOJRT-UHFFFAOYSA-N 0 1 330.236 4.411 50 0 EIAAMN COC[C@H](c1ccccn1)N(C)Cc1cccc(-c2ccc(C)o2)c1 ZINC000215736538 241142762 /nfs/dbraw/zinc/14/27/62/241142762.db2.gz OAAPYOLMHQLDDR-HXUWFJFHSA-N 0 1 336.435 4.470 50 0 EIAAMN COC[C@@H](c1ccccn1)N(C)Cc1cccc(-c2ccc(C)o2)c1 ZINC000215736485 241144995 /nfs/dbraw/zinc/14/49/95/241144995.db2.gz OAAPYOLMHQLDDR-FQEVSTJZSA-N 0 1 336.435 4.470 50 0 EIAAMN Fc1ccc([C@@H]2CCCN2Cc2cnc(-c3ccccn3)nc2)cc1 ZINC000215905955 241154856 /nfs/dbraw/zinc/15/48/56/241154856.db2.gz YFOBINHLHRNNMB-IBGZPJMESA-N 0 1 334.398 4.015 50 0 EIAAMN CCc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000003581196 201577624 /nfs/dbraw/zinc/57/76/24/201577624.db2.gz RMVXRIIWTWSSGR-UHFFFAOYSA-N 0 1 330.236 4.357 50 0 EIAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cccc(F)c1 ZINC000004406641 201601034 /nfs/dbraw/zinc/60/10/34/201601034.db2.gz WUWDTWZHIFIFAM-UHFFFAOYSA-N 0 1 335.791 4.086 50 0 EIAAMN Cc1cc2nc(SCC(=O)Nc3ccccc3C)[nH]c2c(C)c1 ZINC000004843261 201622363 /nfs/dbraw/zinc/62/23/63/201622363.db2.gz RJDKPYMMDWRRQI-UHFFFAOYSA-N 0 1 325.437 4.219 50 0 EIAAMN Cc1ccsc1CN(Cc1cc(-c2ccncc2)no1)C1CC1 ZINC000244873246 243091805 /nfs/dbraw/zinc/09/18/05/243091805.db2.gz WMLQWCGSYFNFDZ-UHFFFAOYSA-N 0 1 325.437 4.271 50 0 EIAAMN CCc1ncc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)cn1 ZINC000071746853 203104424 /nfs/dbraw/zinc/10/44/24/203104424.db2.gz QJCCQCYKZUDUGV-OAHLLOKOSA-N 0 1 345.437 4.162 50 0 EIAAMN FC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3ncc[nH]3)C2)c1 ZINC000071735495 203105104 /nfs/dbraw/zinc/10/51/04/203105104.db2.gz KZNDHRIFEROQJX-HNNXBMFYSA-N 0 1 337.389 4.273 50 0 EIAAMN CCC(=O)Nc1ccc([C@H](C)NCc2cc(F)c(F)c(F)c2)cc1 ZINC000071794744 203114074 /nfs/dbraw/zinc/11/40/74/203114074.db2.gz DAALYVVBYUATEC-NSHDSACASA-N 0 1 336.357 4.303 50 0 EIAAMN C[C@H]1CN(CCCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1 ZINC000020167327 212108159 /nfs/dbraw/zinc/10/81/59/212108159.db2.gz LBXLFNZMNYGFSZ-GJZGRUSLSA-N 0 1 333.859 4.371 50 0 EIAAMN Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCCN(C)C1 ZINC000075567331 203318685 /nfs/dbraw/zinc/31/86/85/203318685.db2.gz MOAZAZMSTNXWJY-UHFFFAOYSA-N 0 1 333.479 4.274 50 0 EIAAMN Cc1ccc(-c2csc(NC(=O)c3ccn4cncc4c3)n2)cc1C ZINC000089643325 203584555 /nfs/dbraw/zinc/58/45/55/203584555.db2.gz UECXHEDKPUKBEZ-UHFFFAOYSA-N 0 1 348.431 4.327 50 0 EIAAMN COc1ccc2c(c1)[C@H](N[C@@H](c1ncccc1C)C(C)C)CCO2 ZINC000095422487 218365045 /nfs/dbraw/zinc/36/50/45/218365045.db2.gz QIVMZPLCSIVGGT-IEBWSBKVSA-N 0 1 326.440 4.209 50 0 EIAAMN O=C(NC[C@@H](c1ccsc1)N1CCCC1)Nc1ccc(Cl)cc1 ZINC000012355578 207114740 /nfs/dbraw/zinc/11/47/40/207114740.db2.gz QHTAGZZQLMXAIY-INIZCTEOSA-N 0 1 349.887 4.360 50 0 EIAAMN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000328596457 258043064 /nfs/dbraw/zinc/04/30/64/258043064.db2.gz RGROLLZTPMGMHG-NWDGAFQWSA-N 0 1 325.334 4.095 50 0 EIAAMN CCN1CCN(c2nnc(-c3ccc(C)c(C)c3)c3ccccc32)CC1 ZINC000000137417 135645402 /nfs/dbraw/zinc/64/54/02/135645402.db2.gz GCUZNVMJVDRJHQ-UHFFFAOYSA-N 0 1 346.478 4.056 50 0 EIAAMN O=C(CN(Cc1ccc(F)cc1)C1CCCCC1)Nc1nccs1 ZINC000029064942 526699624 /nfs/dbraw/zinc/69/96/24/526699624.db2.gz QBAAOFOGHJVECD-UHFFFAOYSA-N 0 1 347.459 4.056 50 0 EIAAMN COc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000527901 563341764 /nfs/dbraw/zinc/34/17/64/563341764.db2.gz MEUXVMNOWUHXPO-UHFFFAOYSA-N 0 1 346.235 4.111 50 0 EIAAMN COc1ccccc1-c1n[nH]c(SCc2ccc(Cl)cc2)n1 ZINC000006702783 563580823 /nfs/dbraw/zinc/58/08/23/563580823.db2.gz LDAXAUOLNIARIA-UHFFFAOYSA-N 0 1 331.828 4.426 50 0 EIAAMN O=C(Nc1cccc(F)c1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009063301 563641613 /nfs/dbraw/zinc/64/16/13/563641613.db2.gz OAMJDAKOCLFGNO-UHFFFAOYSA-N 0 1 346.833 4.330 50 0 EIAAMN Cc1ccc(C)c(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)c1 ZINC000012475309 563661839 /nfs/dbraw/zinc/66/18/39/563661839.db2.gz WDPGLZHDHYZMKZ-UHFFFAOYSA-N 0 1 335.407 4.268 50 0 EIAAMN Cc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)cc1C ZINC000012475485 563661899 /nfs/dbraw/zinc/66/18/99/563661899.db2.gz DXOZXMMRVDIYSI-UHFFFAOYSA-N 0 1 335.407 4.268 50 0 EIAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)Nc1ccccc1 ZINC000012925048 563677486 /nfs/dbraw/zinc/67/74/86/563677486.db2.gz KYEIIYQQRLBFDZ-GOSISDBHSA-N 0 1 343.858 4.299 50 0 EIAAMN CCOC(=O)C1(CC2CC2)CCN(Cc2ccc(SC)cc2)CC1 ZINC000015065035 563775181 /nfs/dbraw/zinc/77/51/81/563775181.db2.gz KAHQFNRZUXMVSU-UHFFFAOYSA-N 0 1 347.524 4.354 50 0 EIAAMN Cc1noc(C)c1[C@@H]1CCCN1Cc1c[nH]nc1-c1cccs1 ZINC000015866875 563797876 /nfs/dbraw/zinc/79/78/76/563797876.db2.gz BLPSKGPHWJIHQP-AWEZNQCLSA-N 0 1 328.441 4.080 50 0 EIAAMN CC(C)c1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)n[nH]1 ZINC000019147177 563854446 /nfs/dbraw/zinc/85/44/46/563854446.db2.gz RWINNMOBOCZATJ-OAHLLOKOSA-N 0 1 345.874 4.281 50 0 EIAAMN Oc1ccccc1-c1nc2ccccc2c(NCc2cccnc2)n1 ZINC000013121819 563870779 /nfs/dbraw/zinc/87/07/79/563870779.db2.gz MTMNCZKFTUQNJT-UHFFFAOYSA-N 0 1 328.375 4.010 50 0 EIAAMN CCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000030011943 563909305 /nfs/dbraw/zinc/90/93/05/563909305.db2.gz JJSJXTDJPRGPHL-UHFFFAOYSA-N 0 1 341.798 4.381 50 0 EIAAMN CC(C)c1csc([C@H]2CCCN(C(=O)c3cnc(C(C)C)[nH]3)C2)n1 ZINC000072300318 563912731 /nfs/dbraw/zinc/91/27/31/563912731.db2.gz ZVVPPADEEGCLSX-ZDUSSCGKSA-N 0 1 346.500 4.133 50 0 EIAAMN Cc1cc(Cl)cc(C)c1OCCCCCCN1CCOCC1 ZINC000019721079 563918129 /nfs/dbraw/zinc/91/81/29/563918129.db2.gz FWKPECPNZCJYIX-UHFFFAOYSA-N 0 1 325.880 4.228 50 0 EIAAMN C/C(=C\c1ccccc1)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000019634572 563918170 /nfs/dbraw/zinc/91/81/70/563918170.db2.gz UNBNAYPWGSIPEP-FIIWLBIUSA-N 0 1 332.491 4.421 50 0 EIAAMN CCCn1ncc(CN(Cc2ccc(SC)cc2)C2CC2)c1C ZINC000055393123 563934776 /nfs/dbraw/zinc/93/47/76/563934776.db2.gz NRFUYVYXPZVRAV-UHFFFAOYSA-N 0 1 329.513 4.488 50 0 EIAAMN CC(C)c1cc(C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)n[nH]1 ZINC000067841664 563962888 /nfs/dbraw/zinc/96/28/88/563962888.db2.gz HOPGVKMXEJYXHN-UHFFFAOYSA-N 0 1 342.468 4.096 50 0 EIAAMN CCC(=O)N1CCC(N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000097016566 563966751 /nfs/dbraw/zinc/96/67/51/563966751.db2.gz KLILUWGKQWFEPS-JTQLQIEISA-N 0 1 347.261 4.184 50 0 EIAAMN C[C@H](NC[C@H](CCO)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000585134811 563971846 /nfs/dbraw/zinc/97/18/46/563971846.db2.gz KOGXGQFSUDCGIM-LPHOPBHVSA-N 0 1 336.435 4.158 50 0 EIAAMN CCC[C@]1(CO)CCCN(Cc2ccc(OCC)c(Cl)c2)C1 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/nfs/dbraw/zinc/13/76/10/564137610.db2.gz AAUBYZITFPRXRQ-SFHVURJKSA-N 0 1 336.464 4.246 50 0 EIAAMN COc1ccc(F)cc1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000093548540 564137806 /nfs/dbraw/zinc/13/78/06/564137806.db2.gz UZMHABDGSDSZKI-UHFFFAOYSA-N 0 1 345.761 4.130 50 0 EIAAMN COc1ccc([C@H](C)N[C@H](C)c2ccc(C)o2)cc1Cn1cccn1 ZINC000095419417 564139778 /nfs/dbraw/zinc/13/97/78/564139778.db2.gz SCIFRFILUMUNJU-JKSUJKDBSA-N 0 1 339.439 4.253 50 0 EIAAMN COc1ccccc1[C@H](C)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000095419358 564139827 /nfs/dbraw/zinc/13/98/27/564139827.db2.gz XYKWCHDODVTSRF-CABCVRRESA-N 0 1 340.423 4.064 50 0 EIAAMN CCCNC(=O)c1cccc(CN[C@H](C)c2ccc3ccccc3n2)c1 ZINC000095420451 564139896 /nfs/dbraw/zinc/13/98/96/564139896.db2.gz BRIUZWUWKPJIEO-MRXNPFEDSA-N 0 1 347.462 4.225 50 0 EIAAMN CCOc1c(Cl)cc(CN[C@@H](C)c2cncc(F)c2)cc1OC ZINC000095420546 564139927 /nfs/dbraw/zinc/13/99/27/564139927.db2.gz HTASLQYLBBIGMG-NSHDSACASA-N 0 1 338.810 4.132 50 0 EIAAMN COc1ccc(Cl)cc1[C@@H](C)N[C@H](CCO)c1cccs1 ZINC000095423033 564140139 /nfs/dbraw/zinc/14/01/39/564140139.db2.gz NCBVCTKAWAGWEQ-BXUZGUMPSA-N 0 1 325.861 4.184 50 0 EIAAMN Cc1cnc(CN[C@@H](c2ccc(Br)cc2)C2CCC2)cn1 ZINC000096476667 564148467 /nfs/dbraw/zinc/14/84/67/564148467.db2.gz FYYKIAOMBVUMTQ-QGZVFWFLSA-N 0 1 346.272 4.179 50 0 EIAAMN Cc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)cc2[nH]1 ZINC000056309644 564152133 /nfs/dbraw/zinc/15/21/33/564152133.db2.gz PDHQOMJLRIMDAB-VXGBXAGGSA-N 0 1 325.334 4.179 50 0 EIAAMN CCOc1ccccc1NC(=O)CN[C@@H](C)c1cccc(Cl)c1 ZINC000057315490 564153552 /nfs/dbraw/zinc/15/35/52/564153552.db2.gz OZIJIPUOGLDGGU-ZDUSSCGKSA-N 0 1 332.831 4.028 50 0 EIAAMN CN(Cc1cccc(F)c1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000057406503 564153950 /nfs/dbraw/zinc/15/39/50/564153950.db2.gz MBCKVJPTLOTTIK-UHFFFAOYSA-N 0 1 337.394 4.053 50 0 EIAAMN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F ZINC000003326415 564157351 /nfs/dbraw/zinc/15/73/51/564157351.db2.gz RYGPRMQAYRHXKN-UHFFFAOYSA-N 0 1 343.379 4.419 50 0 EIAAMN O=C(c1[nH]nc2ccccc21)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031392097 564159370 /nfs/dbraw/zinc/15/93/70/564159370.db2.gz STVTTXDFLYMONX-HNNXBMFYSA-N 0 1 348.431 4.150 50 0 EIAAMN CC(C)(C)c1nc2ccc(NC(=O)c3c(F)cccc3F)cc2[nH]1 ZINC000032466077 564161486 /nfs/dbraw/zinc/16/14/86/564161486.db2.gz BONOUQWTPURQSA-UHFFFAOYSA-N 0 1 329.350 4.391 50 0 EIAAMN CC1CCC([N@H+](C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000067443740 564165901 /nfs/dbraw/zinc/16/59/01/564165901.db2.gz MTVQKRVBKNYBBI-UHFFFAOYSA-N 0 1 325.412 4.092 50 0 EIAAMN CC1CCC([N@@H+](C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000067443740 564165902 /nfs/dbraw/zinc/16/59/02/564165902.db2.gz MTVQKRVBKNYBBI-UHFFFAOYSA-N 0 1 325.412 4.092 50 0 EIAAMN CC1CCC(N(C)Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1 ZINC000067443740 564165903 /nfs/dbraw/zinc/16/59/03/564165903.db2.gz MTVQKRVBKNYBBI-UHFFFAOYSA-N 0 1 325.412 4.092 50 0 EIAAMN O=C(Nc1cccc(Cl)c1O)c1sccc1Br ZINC000172110707 564167182 /nfs/dbraw/zinc/16/71/82/564167182.db2.gz YWNDVXLWQRSPNC-UHFFFAOYSA-N 0 1 332.606 4.122 50 0 EIAAMN c1coc(CNCc2cn(-c3ccccc3)nc2-c2cccs2)c1 ZINC000009549215 564174096 /nfs/dbraw/zinc/17/40/96/564174096.db2.gz GNHSYEUGCNYWBP-UHFFFAOYSA-N 0 1 335.432 4.484 50 0 EIAAMN Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3F)[nH]n2)cc1 ZINC000009734779 564174546 /nfs/dbraw/zinc/17/45/46/564174546.db2.gz IWXURCHTQCZJSN-UHFFFAOYSA-N 0 1 329.762 4.430 50 0 EIAAMN C[C@H](C(=O)Nc1ccccc1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010140296 564175081 /nfs/dbraw/zinc/17/50/81/564175081.db2.gz YGKGKRFPIQPLON-MRXNPFEDSA-N 0 1 347.462 4.375 50 0 EIAAMN CN(C)[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000010329707 564175287 /nfs/dbraw/zinc/17/52/87/564175287.db2.gz VJYNUBHXYZKNOT-IBGZPJMESA-N 0 1 342.458 4.156 50 0 EIAAMN C[C@H](C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccs1 ZINC000078089335 564176898 /nfs/dbraw/zinc/17/68/98/564176898.db2.gz VBYOVZBABQIPBM-NHYWBVRUSA-N 0 1 341.436 4.218 50 0 EIAAMN O=[N+]([O-])c1ccccc1N=NCc1cc2ccccc2nc1Cl ZINC000254515426 1024958463 /nfs/dbraw/zinc/95/84/63/1024958463.db2.gz CTEVVGAECWBNSP-UHFFFAOYSA-N 0 1 326.743 4.242 50 0 EIAAMN CCc1ccc(-c2n[nH]c(SCC(=O)c3cccc(F)c3)n2)cc1 ZINC000952874677 1049678559 /nfs/dbraw/zinc/67/85/59/1049678559.db2.gz XDNOWZBEZOHZFB-UHFFFAOYSA-N 0 1 341.411 4.148 50 0 EIAAMN Fc1cc(CN(Cc2ccco2)C2CCCC2)c2c(c1)COCO2 ZINC000052076963 214116761 /nfs/dbraw/zinc/11/67/61/214116761.db2.gz HZAAVVYFBPATCC-UHFFFAOYSA-N 0 1 331.387 4.230 50 0 EIAAMN Clc1cccc2ccc(CN3CCC[C@H](c4ccncn4)C3)nc12 ZINC000097694970 219048379 /nfs/dbraw/zinc/04/83/79/219048379.db2.gz JRBDSNAVCJZIBC-HNNXBMFYSA-N 0 1 338.842 4.058 50 0 EIAAMN O=C(CN1CCC[C@@H]1c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000010339722 201797293 /nfs/dbraw/zinc/79/72/93/201797293.db2.gz TXWWDYBOLGTKRI-NHCUHLMSSA-N 0 1 334.463 4.017 50 0 EIAAMN CSc1ccc(CN2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000019781973 202020519 /nfs/dbraw/zinc/02/05/19/202020519.db2.gz AWTGCVQCEABFST-UHFFFAOYSA-N 0 1 326.509 4.035 50 0 EIAAMN CCc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019789141 202020944 /nfs/dbraw/zinc/02/09/44/202020944.db2.gz IUSRPFHVAGISQE-UHFFFAOYSA-N 0 1 328.887 4.220 50 0 EIAAMN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC[C@H]1CO ZINC000019954105 202027358 /nfs/dbraw/zinc/02/73/58/202027358.db2.gz CBVBUSOUBNXZDH-FQEVSTJZSA-N 0 1 348.446 4.274 50 0 EIAAMN Cc1ccc2nc(S[C@@H](C)C(=O)N[C@H](C)c3ccccc3)[nH]c2c1 ZINC000022045989 202077856 /nfs/dbraw/zinc/07/78/56/202077856.db2.gz MOAOVYSOTOYTSE-KGLIPLIRSA-N 0 1 339.464 4.229 50 0 EIAAMN c1cc([C@H]2CCCCO2)oc1CN1CCc2n[nH]c(C3CCC3)c2C1 ZINC000023158607 202099257 /nfs/dbraw/zinc/09/92/57/202099257.db2.gz QAOVLGTWRIMHRO-GOSISDBHSA-N 0 1 341.455 4.070 50 0 EIAAMN O=C(c1cccc2c[nH]nc21)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000024584958 202117908 /nfs/dbraw/zinc/11/79/08/202117908.db2.gz BAGGELSAXUBTQA-HNNXBMFYSA-N 0 1 348.431 4.150 50 0 EIAAMN COc1ccccc1CN[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222466 202152498 /nfs/dbraw/zinc/15/24/98/202152498.db2.gz NTWGNJQSJZFTTJ-HXUWFJFHSA-N 0 1 347.462 4.107 50 0 EIAAMN CCCCSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 ZINC000032948495 202243552 /nfs/dbraw/zinc/24/35/52/202243552.db2.gz HZHAHENVQKYLKG-UHFFFAOYSA-N 0 1 349.506 4.397 50 0 EIAAMN CCCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)Cc1cccs1 ZINC000034795093 202277274 /nfs/dbraw/zinc/27/72/74/202277274.db2.gz WBPAVSCAZBZEHC-UHFFFAOYSA-N 0 1 343.427 4.411 50 0 EIAAMN CCc1n[nH]c(-c2cccc(OC)c2)c1NC(=O)c1ccccc1F ZINC000034796112 202277660 /nfs/dbraw/zinc/27/76/60/202277660.db2.gz GUJRMSCMQLYMOH-UHFFFAOYSA-N 0 1 339.370 4.039 50 0 EIAAMN CN(Cc1ccc([C@H]2CCCCO2)s1)Cc1n[nH]c2c1CCCC2 ZINC000215362785 241123845 /nfs/dbraw/zinc/12/38/45/241123845.db2.gz WCKHCQTZFZZWNV-GOSISDBHSA-N 0 1 345.512 4.224 50 0 EIAAMN Clc1ccc2[nH]c([C@H]3CCCN3CCCc3cccnc3)nc2c1 ZINC000244712668 243062829 /nfs/dbraw/zinc/06/28/29/243062829.db2.gz KUAWBDIMAVFXOI-GOSISDBHSA-N 0 1 340.858 4.381 50 0 EIAAMN c1coc([C@H]2CCCCCN2Cc2cnc(N3CCCC3)s2)c1 ZINC000072120672 203163425 /nfs/dbraw/zinc/16/34/25/203163425.db2.gz GPJWWCORUOUNIA-MRXNPFEDSA-N 0 1 331.485 4.454 50 0 EIAAMN Cc1ccc(Cl)c(C[N@H+]2CC[C@H](c3ccccc3C(=O)[O-])C2)c1F ZINC000072128344 203165567 /nfs/dbraw/zinc/16/55/67/203165567.db2.gz IVWALQNRGVLSAC-ZDUSSCGKSA-N 0 1 347.817 4.475 50 0 EIAAMN CC(=O)c1cc(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cs1 ZINC000072146456 203171500 /nfs/dbraw/zinc/17/15/00/203171500.db2.gz FZWZMYUBOZDXEZ-QGZVFWFLSA-N 0 1 339.464 4.473 50 0 EIAAMN O=C(Nc1ccccc1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072150571 203172731 /nfs/dbraw/zinc/17/27/31/203172731.db2.gz OPTOXQPPCSLKSE-QGZVFWFLSA-N 0 1 338.386 4.461 50 0 EIAAMN CCc1nc(C)sc1CN1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072161659 203175720 /nfs/dbraw/zinc/17/57/20/203175720.db2.gz NNKGRGXFQRNOMG-MRXNPFEDSA-N 0 1 344.459 4.366 50 0 EIAAMN CCN(Cc1cn(C)nc1-c1cccc(Cl)c1)Cc1ccncc1 ZINC000072408325 203216260 /nfs/dbraw/zinc/21/62/60/203216260.db2.gz YEGPGYFKJJWKJV-UHFFFAOYSA-N 0 1 340.858 4.158 50 0 EIAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)C2CCCC2)[nH]n1 ZINC000075558780 203318921 /nfs/dbraw/zinc/31/89/21/203318921.db2.gz FWQYZIGGEMKHCJ-UHFFFAOYSA-N 0 1 336.439 4.488 50 0 EIAAMN c1coc(-c2nnc(CN3CCCC[C@H]3CCc3cccs3)o2)c1 ZINC000077525170 203393936 /nfs/dbraw/zinc/39/39/36/203393936.db2.gz XRDFAIREEISZTI-AWEZNQCLSA-N 0 1 343.452 4.378 50 0 EIAAMN Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000096148067 203843693 /nfs/dbraw/zinc/84/36/93/203843693.db2.gz WZSCKUIMXCXGSW-LJQANCHMSA-N 0 1 347.418 4.068 50 0 EIAAMN Cc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000043357076 204250181 /nfs/dbraw/zinc/25/01/81/204250181.db2.gz WEPGTKVGOIVEQA-HNNXBMFYSA-N 0 1 337.876 4.134 50 0 EIAAMN COc1cc(CN[C@@H](C)c2ccc(Cl)s2)cc(OC)c1OC ZINC000046837477 204336482 /nfs/dbraw/zinc/33/64/82/204336482.db2.gz IELUDRUIIFMJST-JTQLQIEISA-N 0 1 341.860 4.278 50 0 EIAAMN COc1ccc2c(c1)[C@@H](N[C@@H](c1ncccc1C)C(C)C)CCO2 ZINC000095422489 218365293 /nfs/dbraw/zinc/36/52/93/218365293.db2.gz QIVMZPLCSIVGGT-PKOBYXMFSA-N 0 1 326.440 4.209 50 0 EIAAMN O=C(CCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000054979038 132192794 /nfs/dbraw/zinc/19/27/94/132192794.db2.gz UTWZEAFHTFHBKG-UHFFFAOYSA-N 0 1 344.458 4.235 50 0 EIAAMN CC(C)[C@@H](C)N(Cc1ccco1)Cc1cc(-c2ccncc2)no1 ZINC000244734919 535162429 /nfs/dbraw/zinc/16/24/29/535162429.db2.gz NNZCPTUOYUFZDZ-OAHLLOKOSA-N 0 1 325.412 4.376 50 0 EIAAMN O=C(CSC(=S)NNc1ccccc1)c1ccc(Cl)cc1 ZINC000000093233 563223128 /nfs/dbraw/zinc/22/31/28/563223128.db2.gz WWLIFMGGMGACTE-UHFFFAOYSA-N 0 1 336.869 4.158 50 0 EIAAMN CCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000101855 563226261 /nfs/dbraw/zinc/22/62/61/563226261.db2.gz LZWDAQVZAPNWLA-UHFFFAOYSA-N 0 1 330.236 4.357 50 0 EIAAMN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)c1ccccc1O ZINC000000140774 563241918 /nfs/dbraw/zinc/24/19/18/563241918.db2.gz CUGPXGSVKBCMIZ-UHFFFAOYSA-N 0 1 331.730 4.379 50 0 EIAAMN COc1cc2c(cc1OC)[C@@H](C)N(Cc1cc(C)c(O)c(C)c1)CC2 ZINC000000166615 563249689 /nfs/dbraw/zinc/24/96/89/563249689.db2.gz GHYUFGSFFKSVCT-OAHLLOKOSA-N 0 1 341.451 4.146 50 0 EIAAMN Oc1ccccc1-c1n[nH]c(C=Cc2ccc(Br)cc2)n1 ZINC000004199762 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COc1ccccc1CNc1ncc(-c2cccc(Cl)c2)n1C ZINC000004678250 210244998 /nfs/dbraw/zinc/24/49/98/210244998.db2.gz ORWKAORBFOHYKR-UHFFFAOYSA-N 0 1 327.815 4.361 50 0 EIAAMN O=C(Nc1ccc(F)cc1F)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412582 214426462 /nfs/dbraw/zinc/42/64/62/214426462.db2.gz VTXADSNNZSACNW-UHFFFAOYSA-N 0 1 333.725 4.261 50 0 EIAAMN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000004484936 210200013 /nfs/dbraw/zinc/20/00/13/210200013.db2.gz IQKBAQYTPYKTKN-ZYHUDNBSSA-N 0 1 337.876 4.003 50 0 EIAAMN COc1ccc2nc(S[C@H](C)C(=O)c3ccc(F)c(F)c3)[nH]c2c1 ZINC000004252440 210153702 /nfs/dbraw/zinc/15/37/02/210153702.db2.gz VIFAKUHVEMIOSU-SECBINFHSA-N 0 1 348.374 4.213 50 0 EIAAMN Cc1n[nH]c2c1[C@@]1(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C2 ZINC000003983823 210097597 /nfs/dbraw/zinc/09/75/97/210097597.db2.gz GHWUZZCCPXLMSI-PJLSOGJUSA-N 0 1 328.500 4.135 50 0 biogenic EIAAMN Cc1sc(Nc2ncccn2)nc1-c1ccc(Br)cc1 ZINC000067322075 215133625 /nfs/dbraw/zinc/13/36/25/215133625.db2.gz 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Cc1ccc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)c(C)c1 ZINC000072427502 216219782 /nfs/dbraw/zinc/21/97/82/216219782.db2.gz RYRSBLMMFWQREX-UHFFFAOYSA-N 0 1 335.407 4.268 50 0 EIAAMN O=C(c1ccc2c(c1)CCC2)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072433880 216228722 /nfs/dbraw/zinc/22/87/22/216228722.db2.gz JIVBCEOVCXDCNI-IBGZPJMESA-N 0 1 349.409 4.168 50 0 EIAAMN CCc1nc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cs1 ZINC000023966920 212401343 /nfs/dbraw/zinc/40/13/43/212401343.db2.gz GODBJKNUMZVCHS-UHFFFAOYSA-N 0 1 336.873 4.436 50 0 EIAAMN COc1cc(CN[C@@H](C)c2ccccc2Cl)cc(OC)c1OC ZINC000022781128 212324004 /nfs/dbraw/zinc/32/40/04/212324004.db2.gz MPACXDOWWOTFBM-LBPRGKRZSA-N 0 1 335.831 4.217 50 0 EIAAMN O=C(CCN(Cc1ccco1)Cc1ccccc1)Nc1ccccc1 ZINC000022199016 212281488 /nfs/dbraw/zinc/28/14/88/212281488.db2.gz OVJCHXNJWDKPCV-UHFFFAOYSA-N 0 1 334.419 4.311 50 0 EIAAMN CCCCC(=O)Nc1cc(-c2cc3ccc(OC)cc3n2CC)n[nH]1 ZINC000075544431 216634663 /nfs/dbraw/zinc/63/46/63/216634663.db2.gz IAUNLVHHRQNAFQ-UHFFFAOYSA-N 0 1 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/nfs/dbraw/zinc/89/69/21/563896921.db2.gz JEIIFRYYKOCOBQ-HNNXBMFYSA-N 0 1 336.888 4.214 50 0 EIAAMN COc1ccc2nc(SCC(=O)c3ccc(Cl)s3)[nH]c2c1 ZINC000002627598 564087488 /nfs/dbraw/zinc/08/74/88/564087488.db2.gz YQROCFDCPQYVCZ-UHFFFAOYSA-N 0 1 338.841 4.261 50 0 EIAAMN CCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccco2)CC1 ZINC000034682757 563450488 /nfs/dbraw/zinc/45/04/88/563450488.db2.gz SIKMAAJPMGVLPO-UHFFFAOYSA-N 0 1 344.430 4.216 50 0 EIAAMN COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000002882118 563461141 /nfs/dbraw/zinc/46/11/41/563461141.db2.gz IOJZUNWLEGNRIS-UHFFFAOYSA-N 0 1 337.416 4.067 50 0 EIAAMN COc1ccccc1-c1[nH]nc(C2CC2)c1NC(=O)CC(C)(C)C ZINC000034796289 563480656 /nfs/dbraw/zinc/48/06/56/563480656.db2.gz KVZAWRUABHTCLR-UHFFFAOYSA-N 0 1 327.428 4.337 50 0 EIAAMN Cc1ccc(-c2n[nH]c(S[C@H](C)c3nnc(CC(C)C)o3)n2)cc1 ZINC000071893915 563487891 /nfs/dbraw/zinc/48/78/91/563487891.db2.gz KAKNRWDNDLFRTI-GFCCVEGCSA-N 0 1 343.456 4.215 50 0 EIAAMN O=C(Nc1ccccc1)Nc1ccc2nc(-c3cscn3)[nH]c2c1 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/nfs/dbraw/zinc/11/21/62/564112162.db2.gz FIAXFZJVOJRGJM-GLQYFDAESA-N 0 1 328.239 4.211 50 0 EIAAMN COc1cccc(-c2nn(C(C)(C)C)cc2CNCc2ccco2)c1 ZINC000089761585 564113568 /nfs/dbraw/zinc/11/35/68/564113568.db2.gz IJDPVIFQSPKOPW-UHFFFAOYSA-N 0 1 339.439 4.197 50 0 EIAAMN C[C@@H](N[C@@H](C)c1ccncc1F)c1ccc2c(c1)COC(C)(C)O2 ZINC000253416001 564130766 /nfs/dbraw/zinc/13/07/66/564130766.db2.gz IZUOULLTUYRLRB-OLZOCXBDSA-N 0 1 330.403 4.278 50 0 EIAAMN CC[C@H](N[C@H](C)c1cnc(C)nc1C)c1ccccc1OC(F)F ZINC000096476583 564148455 /nfs/dbraw/zinc/14/84/55/564148455.db2.gz KJJGCEQDVCEFQJ-WBMJQRKESA-N 0 1 335.398 4.497 50 0 EIAAMN CCc1ccc([C@@H](C)NCc2ccc(NC(=O)c3cccnc3)cc2)o1 ZINC000096476872 564148480 /nfs/dbraw/zinc/14/84/80/564148480.db2.gz NIYFJZWBRSHKDC-OAHLLOKOSA-N 0 1 349.434 4.340 50 0 EIAAMN COc1ccccc1[C@H](C)NCC(=O)Nc1cccc2ccccc21 ZINC000057383352 564153845 /nfs/dbraw/zinc/15/38/45/564153845.db2.gz WYZSQUIERGHGGY-HNNXBMFYSA-N 0 1 334.419 4.138 50 0 EIAAMN CCOc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)cc1 ZINC000057412502 564154147 /nfs/dbraw/zinc/15/41/47/564154147.db2.gz VNJWGOZACLGBGM-UHFFFAOYSA-N 0 1 341.798 4.381 50 0 EIAAMN CCc1noc([C@@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)n1 ZINC000057467072 564154381 /nfs/dbraw/zinc/15/43/81/564154381.db2.gz SMVPCYSTHUDWHJ-GFCCVEGCSA-N 0 1 328.441 4.108 50 0 EIAAMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000263397793 564161508 /nfs/dbraw/zinc/16/15/08/564161508.db2.gz HDNJNNHQUTUYGW-RTBURBONSA-N 0 1 339.435 4.063 50 0 EIAAMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000263436075 564161722 /nfs/dbraw/zinc/16/17/22/564161722.db2.gz USGPVQHBMDFEOE-GOSISDBHSA-N 0 1 329.371 4.057 50 0 EIAAMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000263525845 564162779 /nfs/dbraw/zinc/16/27/79/564162779.db2.gz UAKUGYRBEPQKEY-PVAVHDDUSA-N 0 1 342.464 4.028 50 0 EIAAMN O=C(CSc1nc(C=Cc2cccs2)n[nH]1)c1ccccc1F ZINC000014201147 1022831114 /nfs/dbraw/zinc/83/11/14/1022831114.db2.gz OGEHPUJJOJHFLD-BQYQJAHWSA-N 0 1 345.424 4.151 50 0 EIAAMN Cc1nsc(N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000334031416 1024001751 /nfs/dbraw/zinc/00/17/51/1024001751.db2.gz LJQTXNIZSYLNOA-CYBMUJFWSA-N 0 1 333.848 4.108 50 0 EIAAMN CC(C)c1csc([C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000263576956 1030990916 /nfs/dbraw/zinc/99/09/16/1030990916.db2.gz QYZYNHFVBZWFMB-INIZCTEOSA-N 0 1 344.480 4.344 50 0 EIAAMN Cc1cnc(C2CCC2)n1CC1CCN(C(=O)CC2CCCC2)CC1 ZINC000257190725 1036398021 /nfs/dbraw/zinc/39/80/21/1036398021.db2.gz NQFGUDSQDJEGRA-UHFFFAOYSA-N 0 1 343.515 4.278 50 0 EIAAMN CN1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000623208803 1039725591 /nfs/dbraw/zinc/72/55/91/1039725591.db2.gz YKAYEAZKCYLPDH-INIZCTEOSA-N 0 1 330.815 4.165 50 0 EIAAMN Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000170639796 1043080592 /nfs/dbraw/zinc/08/05/92/1043080592.db2.gz UOMBQCQJCNOGIY-FQEVSTJZSA-N 0 1 347.462 4.039 50 0 EIAAMN Cc1ccc([C@@H]2CCCCN2Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000170639796 1043080602 /nfs/dbraw/zinc/08/06/02/1043080602.db2.gz UOMBQCQJCNOGIY-FQEVSTJZSA-N 0 1 347.462 4.039 50 0 EIAAMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)c1ccc(F)cc1 ZINC000032789354 1045967841 /nfs/dbraw/zinc/96/78/41/1045967841.db2.gz XTWUVJJSASKHRX-IZZDOVSWSA-N 0 1 339.395 4.089 50 0 EIAAMN Cc1cc2[nH]c(CN3CCC[C@](O)(C(F)(F)F)CC3)cc2c(C)c1 ZINC000952846313 1049677208 /nfs/dbraw/zinc/67/72/08/1049677208.db2.gz ZHCKNGFRRWSROM-QGZVFWFLSA-N 0 1 340.389 4.064 50 0 EIAAMN CCOc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3C)[nH]n2)cc1 ZINC000051315491 214088098 /nfs/dbraw/zinc/08/80/98/214088098.db2.gz YUOUBWNLWCGXPF-UHFFFAOYSA-N 0 1 339.370 4.175 50 0 EIAAMN Clc1cccc2ccc(CN3CCC[C@@H](c4ccncn4)C3)nc12 ZINC000097694971 219048512 /nfs/dbraw/zinc/04/85/12/219048512.db2.gz JRBDSNAVCJZIBC-OAHLLOKOSA-N 0 1 338.842 4.058 50 0 EIAAMN FC(F)Oc1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1 ZINC000055028098 214265586 /nfs/dbraw/zinc/26/55/86/214265586.db2.gz ZSYHUMPZUKLEDK-SFHVURJKSA-N 0 1 326.346 4.271 50 0 EIAAMN Cc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)cc2[nH]1 ZINC000056309645 214369666 /nfs/dbraw/zinc/36/96/66/214369666.db2.gz PDHQOMJLRIMDAB-NWDGAFQWSA-N 0 1 325.334 4.179 50 0 EIAAMN CCOc1ccc(-c2cnc(NCc3cccc(F)c3)n2C)cc1 ZINC000004678841 210244964 /nfs/dbraw/zinc/24/49/64/210244964.db2.gz NFMFMPWPHNIQCF-UHFFFAOYSA-N 0 1 325.387 4.237 50 0 EIAAMN Cn1c(-c2ccccc2)cnc1NCc1cccc(Br)c1 ZINC000004678429 210245087 /nfs/dbraw/zinc/24/50/87/210245087.db2.gz CRPLYJMPGBZDGY-UHFFFAOYSA-N 0 1 342.240 4.462 50 0 EIAAMN COc1cccc(CNc2ncc(-c3cccc(Cl)c3)n2C)c1 ZINC000004678294 210244422 /nfs/dbraw/zinc/24/44/22/210244422.db2.gz JJAIVZJTERIQCY-UHFFFAOYSA-N 0 1 327.815 4.361 50 0 EIAAMN COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)cc1F ZINC000057412710 214426565 /nfs/dbraw/zinc/42/65/65/214426565.db2.gz MEGVXYDJYBLNFR-UHFFFAOYSA-N 0 1 345.761 4.130 50 0 EIAAMN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000004484935 210199463 /nfs/dbraw/zinc/19/94/63/210199463.db2.gz IQKBAQYTPYKTKN-JQWIXIFHSA-N 0 1 337.876 4.003 50 0 EIAAMN Cc1n[nH]c2c1[C@@]1(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C2 ZINC000003983824 210097120 /nfs/dbraw/zinc/09/71/20/210097120.db2.gz GHWUZZCCPXLMSI-BZAGGEIZSA-N 0 1 328.500 4.135 50 0 biogenic EIAAMN Cc1cc(Nc2ccc(N3CCOCC3)cc2)c2cccc(C)c2n1 ZINC000003953660 210095835 /nfs/dbraw/zinc/09/58/35/210095835.db2.gz JNKURNCTFDOWSC-UHFFFAOYSA-N 0 1 333.435 4.432 50 0 EIAAMN Cc1cccc(NC(=S)NC[C@@H](c2ccco2)N2CCCC2)c1C ZINC000003439471 210040627 /nfs/dbraw/zinc/04/06/27/210040627.db2.gz XDOHMSOZBVLIAS-KRWDZBQOSA-N 0 1 343.496 4.020 50 0 EIAAMN CCC[C@H](C)[N@H+](CC)Cc1ccccc1-c1nc(C2CC2)cc(=O)[n-]1 ZINC000067641841 215172167 /nfs/dbraw/zinc/17/21/67/215172167.db2.gz CFWQDTGAGGXALV-HNNXBMFYSA-N 0 1 339.483 4.325 50 0 EIAAMN CCC[C@H](C)[N@@H+](CC)Cc1ccccc1-c1nc(C2CC2)cc(=O)[n-]1 ZINC000067641841 215172170 /nfs/dbraw/zinc/17/21/70/215172170.db2.gz CFWQDTGAGGXALV-HNNXBMFYSA-N 0 1 339.483 4.325 50 0 EIAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(F)F)cc1 ZINC000068741212 215330143 /nfs/dbraw/zinc/33/01/43/215330143.db2.gz RJWYQBSZGNHSPC-UHFFFAOYSA-N 0 1 347.770 4.087 50 0 EIAAMN COc1ccc(-c2n[nH]c(SCc3ccc(Cl)s3)n2)cc1 ZINC000068870982 215340607 /nfs/dbraw/zinc/34/06/07/215340607.db2.gz LBWFDVFWTCLKME-UHFFFAOYSA-N 0 1 337.857 4.488 50 0 EIAAMN Cc1ccc(-c2n[nH]c(S[C@H](C)c3nc(C(C)C)no3)n2)cc1 ZINC000040496519 213321232 /nfs/dbraw/zinc/32/12/32/213321232.db2.gz PVHDWXMPXCBXAB-LLVKDONJSA-N 0 1 329.429 4.140 50 0 EIAAMN c1nn(-c2ccccc2)cc1CN1CCC(OCc2ccccc2)CC1 ZINC000040024252 213252526 /nfs/dbraw/zinc/25/25/26/213252526.db2.gz GAIOZHVTQANPOL-UHFFFAOYSA-N 0 1 347.462 4.054 50 0 EIAAMN Cc1ccc(CCC2CCN(C(=O)c3cccc4n[nH]cc43)CC2)cc1 ZINC000072280037 216107710 /nfs/dbraw/zinc/10/77/10/216107710.db2.gz AADAHKDWZKCYEC-UHFFFAOYSA-N 0 1 347.462 4.356 50 0 EIAAMN Fc1ccccc1CN1CCC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000072425772 216215922 /nfs/dbraw/zinc/21/59/22/216215922.db2.gz GBCSMMWBZLLRPL-GOSISDBHSA-N 0 1 335.426 4.450 50 0 EIAAMN Cc1cc(C(=O)N2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)c(C)o1 ZINC000072440307 216234418 /nfs/dbraw/zinc/23/44/18/216234418.db2.gz IVDTULPRUKYIJZ-KRWDZBQOSA-N 0 1 341.386 4.279 50 0 EIAAMN Cc1cnc(CN2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)o1 ZINC000072632749 216285151 /nfs/dbraw/zinc/28/51/51/216285151.db2.gz QZYLYJWBCTXDPC-INIZCTEOSA-N 0 1 338.455 4.293 50 0 EIAAMN Cc1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)Nc1ccccc1F ZINC000132414781 223329111 /nfs/dbraw/zinc/32/91/11/223329111.db2.gz LUIPOGDDBISVMA-UHFFFAOYSA-N 0 1 329.762 4.430 50 0 EIAAMN O=C1CN(c2ccc(Br)cc2)N=C1c1ccc(F)cc1 ZINC000215850850 241149391 /nfs/dbraw/zinc/14/93/91/241149391.db2.gz OMDUTAARRVPMSP-UHFFFAOYSA-N 0 1 333.160 4.147 50 0 EIAAMN Fc1cccc(-c2n[nH]cc2CN2CCCC[C@H]2c2cccnc2)c1 ZINC000215509728 241128167 /nfs/dbraw/zinc/12/81/67/241128167.db2.gz ASXDYRAOBPRYAU-IBGZPJMESA-N 0 1 336.414 4.338 50 0 EIAAMN Fc1cccc(-c2n[nH]cc2CN2CCCC[C@@H]2c2cccnc2)c1 ZINC000215509679 241129946 /nfs/dbraw/zinc/12/99/46/241129946.db2.gz ASXDYRAOBPRYAU-LJQANCHMSA-N 0 1 336.414 4.338 50 0 EIAAMN Cc1noc(C)c1[C@H]1CCCN1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000021719903 212244464 /nfs/dbraw/zinc/24/44/64/212244464.db2.gz YMFYBOWTDLIMQK-QGZVFWFLSA-N 0 1 340.402 4.158 50 0 EIAAMN CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000021206587 212216121 /nfs/dbraw/zinc/21/61/21/212216121.db2.gz LKFFPCKDONFZHB-UHFFFAOYSA-N 0 1 346.814 4.283 50 0 EIAAMN O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000020783902 212172875 /nfs/dbraw/zinc/17/28/75/212172875.db2.gz NKQNZGUMANYFAO-FQEVSTJZSA-N 0 1 345.446 4.172 50 0 EIAAMN Cc1nc([C@H]2CC(=O)N(C3CCCC3)C2)[nH]c1-c1cc(C)ccc1C ZINC000020600154 212151004 /nfs/dbraw/zinc/15/10/04/212151004.db2.gz QLQJWSOTDCUVAK-INIZCTEOSA-N 0 1 337.467 4.260 50 0 EIAAMN CCOc1cc2c(cc1OCC)[C@H](c1ccccc1Cl)NCC2 ZINC000020506888 212141252 /nfs/dbraw/zinc/14/12/52/212141252.db2.gz LBGFRIPGHHILSE-IBGZPJMESA-N 0 1 331.843 4.373 50 0 EIAAMN CSc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000019832128 212072961 /nfs/dbraw/zinc/07/29/61/212072961.db2.gz KDBCURNQHVDGDF-UHFFFAOYSA-N 0 1 326.509 4.035 50 0 EIAAMN CCc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000019788030 212066975 /nfs/dbraw/zinc/06/69/75/212066975.db2.gz BBSAOKHEUQSRKK-UHFFFAOYSA-N 0 1 328.887 4.220 50 0 EIAAMN Fc1cccc(CN2CCN(Cc3ccc4ccccc4c3)CC2)c1 ZINC000019370747 212023138 /nfs/dbraw/zinc/02/31/38/212023138.db2.gz AAFGZFIHOJBQHN-UHFFFAOYSA-N 0 1 334.438 4.297 50 0 EIAAMN O=C(Cc1ccc(Cl)cc1)Nc1ccc2nc(C3CC3)[nH]c2c1 ZINC000079482530 217231623 /nfs/dbraw/zinc/23/16/23/217231623.db2.gz SXVADYLUOXAVJS-UHFFFAOYSA-N 0 1 325.799 4.275 50 0 EIAAMN Cc1oc(-c2cccs2)nc1CN(CC1CC1)C[C@H]1CCCO1 ZINC000012052110 211285159 /nfs/dbraw/zinc/28/51/59/211285159.db2.gz COCLUJQMLGASDH-OAHLLOKOSA-N 0 1 332.469 4.103 50 0 EIAAMN CCOc1ccc(-c2cc(-c3nc(-c4ccccc4)no3)[nH]n2)cc1 ZINC000010272975 211159451 /nfs/dbraw/zinc/15/94/51/211159451.db2.gz PIYGIFAXUZMBAO-UHFFFAOYSA-N 0 1 332.363 4.192 50 0 EIAAMN CC(=O)c1cc(C[N@H+]2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cs1 ZINC000095387428 218319500 /nfs/dbraw/zinc/31/95/00/218319500.db2.gz GCETVDDNXWLTAY-KRWDZBQOSA-N 0 1 343.448 4.029 50 0 EIAAMN Cc1[nH]c(SCC(=O)c2ccc(F)cc2)nc1Cc1ccccc1 ZINC000008813114 211007779 /nfs/dbraw/zinc/00/77/79/211007779.db2.gz OWZSTWBTZHFKBD-UHFFFAOYSA-N 0 1 340.423 4.423 50 0 EIAAMN c1ccc([C@@H](NCc2ccc(N3CCCC3)nc2)C2CCCC2)nc1 ZINC000095412276 218350043 /nfs/dbraw/zinc/35/00/43/218350043.db2.gz XGLYUNQKAAWJSI-NRFANRHFSA-N 0 1 336.483 4.098 50 0 EIAAMN Cc1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000005023293 210365906 /nfs/dbraw/zinc/36/59/06/210365906.db2.gz UBWOLFVQXHHSAY-UHFFFAOYSA-N 0 1 331.828 4.256 50 0 EIAAMN COc1c(Cl)cc(Cl)cc1CNCc1ccc2c(c1)OCO2 ZINC000005019858 210364234 /nfs/dbraw/zinc/36/42/34/210364234.db2.gz HCSYAEUSMPFXJS-UHFFFAOYSA-N 0 1 340.206 4.021 50 0 EIAAMN COc1cccc(CNCc2cccc(C(F)(F)F)c2)c1OC ZINC000004997077 210354278 /nfs/dbraw/zinc/35/42/78/210354278.db2.gz JZMAWYSOCHOABF-UHFFFAOYSA-N 0 1 325.330 4.012 50 0 EIAAMN COc1cc(CN2CC=C(c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000004986459 210351327 /nfs/dbraw/zinc/35/13/27/210351327.db2.gz NJURGPKKWIJLMG-UHFFFAOYSA-N 0 1 327.399 4.132 50 0 EIAAMN C[C@@H]1C[C@@H](C)CN(CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000004776939 210276025 /nfs/dbraw/zinc/27/60/25/210276025.db2.gz UXMJITOZBAWGQO-QZTJIDSGSA-N 0 1 348.490 4.428 50 0 EIAAMN COc1cc(CNCc2ccccn2)ccc1OC1CCCCCC1 ZINC000299802642 258105730 /nfs/dbraw/zinc/10/57/30/258105730.db2.gz UROJJKQUBVZZAF-UHFFFAOYSA-N 0 1 340.467 4.482 50 0 EIAAMN Cc1nc2ccc(NC(=O)N3CCCC[C@H]3c3ccccn3)cc2[nH]1 ZINC000299767581 258082174 /nfs/dbraw/zinc/08/21/74/258082174.db2.gz IKDHTEGVEMMPTK-SFHVURJKSA-N 0 1 335.411 4.025 50 0 EIAAMN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCCc2ccccc21 ZINC000057412421 132200317 /nfs/dbraw/zinc/20/03/17/132200317.db2.gz UZYORKQCYYVMMM-UHFFFAOYSA-N 0 1 337.810 4.323 50 0 EIAAMN CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072305255 563914744 /nfs/dbraw/zinc/91/47/44/563914744.db2.gz CLZCHNXWRMROKB-LSDHHAIUSA-N 0 1 340.920 4.193 50 0 EIAAMN Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1C ZINC000000074696 563216517 /nfs/dbraw/zinc/21/65/17/563216517.db2.gz SLVHCDMUZNIWFS-UHFFFAOYSA-N 0 1 329.343 4.123 50 0 EIAAMN CSc1[nH]nc(-c2ccc(Cl)cc2)c1SC(=O)N(C)C ZINC000000078097 563217817 /nfs/dbraw/zinc/21/78/17/563217817.db2.gz BQKFGXVTGKTYAE-UHFFFAOYSA-N 0 1 327.862 4.226 50 0 EIAAMN Cc1csc(-c2c(=O)c3ccc(O)c(C)c3oc2C(F)(F)F)n1 ZINC000005730835 563547627 /nfs/dbraw/zinc/54/76/27/563547627.db2.gz YLLMZPLRYVVBSC-UHFFFAOYSA-N 0 1 341.310 4.258 50 0 EIAAMN CSc1ccc(Cl)c(C(=O)Nc2cccc(-c3nnc[nH]3)c2)c1 ZINC000071905547 563562594 /nfs/dbraw/zinc/56/25/94/563562594.db2.gz FPAOONKHADHWSY-UHFFFAOYSA-N 0 1 344.827 4.099 50 0 EIAAMN Cc1ccc(C(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000006556697 563571830 /nfs/dbraw/zinc/57/18/30/563571830.db2.gz SNEPWSWNLRFGBW-UHFFFAOYSA-N 0 1 343.839 4.409 50 0 EIAAMN Brc1ccc(-c2ccc(CNCc3cccnc3)o2)cc1 ZINC000006710082 563581581 /nfs/dbraw/zinc/58/15/81/563581581.db2.gz JLJGPMDCWAQWPX-UHFFFAOYSA-N 0 1 343.224 4.394 50 0 EIAAMN COC(=O)c1ccc(-c2ccc(CNCc3cccs3)o2)cc1 ZINC000007538937 563605277 /nfs/dbraw/zinc/60/52/77/563605277.db2.gz FVWCMFSTVFFTFR-UHFFFAOYSA-N 0 1 327.405 4.085 50 0 EIAAMN COc1ccc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 ZINC000012584832 563663834 /nfs/dbraw/zinc/66/38/34/563663834.db2.gz NAPKOFMVFHYAKB-CQSZACIVSA-N 0 1 339.414 4.179 50 0 EIAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2)cc1 ZINC000012984875 563682007 /nfs/dbraw/zinc/68/20/07/563682007.db2.gz OAEGFEMXXSRMRH-FQEVSTJZSA-N 0 1 338.451 4.251 50 0 EIAAMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nc(C(C)C)n[nH]1 ZINC000014111508 563741615 /nfs/dbraw/zinc/74/16/15/563741615.db2.gz VXCKJWUCQCMWQC-LLVKDONJSA-N 0 1 328.441 4.081 50 0 EIAAMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1n[nH]c(C(C)C)n1 ZINC000014111508 563741617 /nfs/dbraw/zinc/74/16/17/563741617.db2.gz VXCKJWUCQCMWQC-LLVKDONJSA-N 0 1 328.441 4.081 50 0 EIAAMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nc(C(C)C)n[nH]1 ZINC000014111505 563741665 /nfs/dbraw/zinc/74/16/65/563741665.db2.gz 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1 340.814 4.048 50 0 EIAAMN O=S(=O)(Nc1ccccc1OC(F)F)c1ccc2ccccc2c1 ZINC000003269150 564156806 /nfs/dbraw/zinc/15/68/06/564156806.db2.gz RIAVOAJYIKQFDN-UHFFFAOYSA-N 0 1 349.358 4.242 50 0 EIAAMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(Cl)sc1Cl ZINC000263095235 564159482 /nfs/dbraw/zinc/15/94/82/564159482.db2.gz IHRWTIOLORVNBX-LSJOCFKGSA-N 0 1 334.268 4.273 50 0 EIAAMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000263525847 564162759 /nfs/dbraw/zinc/16/27/59/564162759.db2.gz UAKUGYRBEPQKEY-XIRDDKMYSA-N 0 1 342.464 4.028 50 0 EIAAMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000263533617 564162940 /nfs/dbraw/zinc/16/29/40/564162940.db2.gz XXTKDLWLVLBGCD-BNOWGMLFSA-N 0 1 348.493 4.089 50 0 EIAAMN C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N1CCCCCC1 ZINC000008135598 564163138 /nfs/dbraw/zinc/16/31/38/564163138.db2.gz FHTHSGYDOLXKOO-NSHDSACASA-N 0 1 337.876 4.100 50 0 EIAAMN O=C([O-])c1ccc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)cc1 ZINC000263574449 564164348 /nfs/dbraw/zinc/16/43/48/564164348.db2.gz NPJZFOIGBBUDFI-JOCHJYFZSA-N 0 1 335.447 4.255 50 0 EIAAMN Brc1cccc(-c2ccc(CNCc3cccnc3)o2)c1 ZINC000009468636 564173824 /nfs/dbraw/zinc/17/38/24/564173824.db2.gz NASQVECWRLTADA-UHFFFAOYSA-N 0 1 343.224 4.394 50 0 EIAAMN O=C(NCCN1CCC(c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000077103945 564176578 /nfs/dbraw/zinc/17/65/78/564176578.db2.gz LBVYGYQKTUZQLT-UHFFFAOYSA-N 0 1 348.899 4.011 50 0 EIAAMN Cc1cc(-c2[nH]c([C@H]3CC(=O)N(C4CCCC4)C3)nc2C)c(C)s1 ZINC000023398884 1021519841 /nfs/dbraw/zinc/51/98/41/1021519841.db2.gz HLSYOHUFNMGTDZ-AWEZNQCLSA-N 0 1 343.496 4.322 50 0 EIAAMN CC(C)N(Cc1cnc(C2OCCO2)s1)[C@@H](C)c1ccccc1 ZINC000292882771 1022592872 /nfs/dbraw/zinc/59/28/72/1022592872.db2.gz XZZDXUFDCYHYRA-AWEZNQCLSA-N 0 1 332.469 4.160 50 0 EIAAMN Fc1ccc(CN2CCC(CCc3noc(C4CC4)n3)CC2)cc1F ZINC000675018960 1023326023 /nfs/dbraw/zinc/32/60/23/1023326023.db2.gz HGTCOFXEGZXBPU-UHFFFAOYSA-N 0 1 347.409 4.070 50 0 EIAAMN CC(N=Nc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1O ZINC000254833232 1024996107 /nfs/dbraw/zinc/99/61/07/1024996107.db2.gz CNQHJJNZXQJVAF-UHFFFAOYSA-N 0 1 340.166 4.443 50 0 EIAAMN OC1(c2ccc(Cl)cc2)CCN(Cc2ccccc2Cl)CC1 ZINC000023280412 1031336131 /nfs/dbraw/zinc/33/61/31/1031336131.db2.gz SPKCQGPCGKAPNJ-UHFFFAOYSA-N 0 1 336.262 4.477 50 0 EIAAMN Clc1ccc2c(c1)C=C(CN[C@@H](c1nccs1)C1CC1)CO2 ZINC000174549939 1038998382 /nfs/dbraw/zinc/99/83/82/1038998382.db2.gz VHFQIKJMEDDCNH-MRXNPFEDSA-N 0 1 332.856 4.313 50 0 EIAAMN Cc1ccccc1Nc1nc(CN2CC[C@@]3(C2)CCCOC3)cs1 ZINC000585081325 1049390253 /nfs/dbraw/zinc/39/02/53/1049390253.db2.gz DMHOKPDXXHOLFF-LJQANCHMSA-N 0 1 343.496 4.198 50 0 EIAAMN C[C@@H](O)c1nc2ccc(NC(=O)C3CCC(C(C)(C)C)CC3)cc2[nH]1 ZINC000952972234 1049683684 /nfs/dbraw/zinc/68/36/84/1049683684.db2.gz ZWJJCLAKCVZLDL-IYXRBSQSSA-N 0 1 343.471 4.407 50 0 EIAAMN CCCN(Cc1sc(C)nc1C(F)(F)F)C[C@@H]1CCCCO1 ZINC000183611507 1051184339 /nfs/dbraw/zinc/18/43/39/1051184339.db2.gz XWKAMMOLKBVQBZ-LBPRGKRZSA-N 0 1 336.423 4.251 50 0 EIAAMN Cc1cnc(C2CC2)n1[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000581805520 1060014418 /nfs/dbraw/zinc/01/44/18/1060014418.db2.gz BKNJRCXCGPQJOR-GOSISDBHSA-N 0 1 329.488 4.203 50 0 EIAAMN Cc1cnc(C2CC2)n1C[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000581807528 1060019622 /nfs/dbraw/zinc/01/96/22/1060019622.db2.gz NYWGQARRCANQGX-GOSISDBHSA-N 0 1 343.515 4.278 50 0 EIAAMN CCOc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)[nH]n2)cc1 ZINC000051315406 214087128 /nfs/dbraw/zinc/08/71/28/214087128.db2.gz GZKUPWDBVSDEOA-UHFFFAOYSA-N 0 1 335.407 4.345 50 0 EIAAMN Cc1[nH]c(S[C@H](C)c2nc(C3CC3)no2)nc1Cc1ccccc1 ZINC000053269134 214174396 /nfs/dbraw/zinc/17/43/96/214174396.db2.gz HWGJGPFKNKAWJE-GFCCVEGCSA-N 0 1 340.452 4.423 50 0 EIAAMN COc1ccccc1CN(Cc1ccc(-n2cccn2)cc1)C1CC1 ZINC000055211752 214289365 /nfs/dbraw/zinc/28/93/65/214289365.db2.gz RKFNGEGCQKQTQY-UHFFFAOYSA-N 0 1 333.435 4.046 50 0 EIAAMN COc1ccccc1CNc1ncc(-c2ccc(Cl)cc2)n1C ZINC000004678549 210244408 /nfs/dbraw/zinc/24/44/08/210244408.db2.gz VHLAHUGLXMKDLY-UHFFFAOYSA-N 0 1 327.815 4.361 50 0 EIAAMN Cn1c(-c2ccccc2)cnc1NCc1ccc(Br)cc1 ZINC000004678593 210243819 /nfs/dbraw/zinc/24/38/19/210243819.db2.gz TUVSNKXBKXZVOD-UHFFFAOYSA-N 0 1 342.240 4.462 50 0 EIAAMN Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)s1 ZINC000004555329 210220177 /nfs/dbraw/zinc/22/01/77/210220177.db2.gz OUCDBOWNMSMXBO-HNNXBMFYSA-N 0 1 347.509 4.313 50 0 EIAAMN COc1cc(CNCc2ccncc2)ccc1OCc1ccccc1C ZINC000004413624 210188575 /nfs/dbraw/zinc/18/85/75/210188575.db2.gz ZDNBPHHKKGDBRK-UHFFFAOYSA-N 0 1 348.446 4.267 50 0 EIAAMN CC(=O)Nc1sc2c(c1CN1CCc3ccccc3C1)CCCC2 ZINC000004276319 210158788 /nfs/dbraw/zinc/15/87/88/210158788.db2.gz FKHLODKGZZZOGP-UHFFFAOYSA-N 0 1 340.492 4.144 50 0 EIAAMN Nc1[nH]nc(Nc2ccccc2)c1C(=O)Nc1ccc2ccccc2c1 ZINC000066087404 215009357 /nfs/dbraw/zinc/00/93/57/215009357.db2.gz IDPOKSSIDCNIGA-UHFFFAOYSA-N 0 1 343.390 4.141 50 0 EIAAMN Cc1n[nH]c2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C2 ZINC000003983817 210096818 /nfs/dbraw/zinc/09/68/18/210096818.db2.gz HVPVPQFZGNASDB-XSUYJZTMSA-N 0 1 326.484 4.056 50 0 biogenic EIAAMN CC[N@@H+](Cc1cc(Cl)cc(OC)c1OC)[C@H]1CCOC(C)(C)C1 ZINC000102537572 219209038 /nfs/dbraw/zinc/20/90/38/219209038.db2.gz IBAICDOMYCLAAG-HNNXBMFYSA-N 0 1 341.879 4.137 50 0 EIAAMN C[C@@H](c1ccc(C(=O)N2CCc3ccccc3C2)o1)N1CCCCC1 ZINC000102539625 219209076 /nfs/dbraw/zinc/20/90/76/219209076.db2.gz CFUFSLQOLJGFOH-INIZCTEOSA-N 0 1 338.451 4.025 50 0 EIAAMN Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccnc2N)ccc1F ZINC000102739756 219226010 /nfs/dbraw/zinc/22/60/10/219226010.db2.gz SLBJGNYYIWGVBI-BCDXTJNWSA-N 0 1 325.431 4.022 50 0 EIAAMN COc1ccccc1Oc1ncccc1CN[C@H](C)CC(F)(F)F ZINC000067818379 215220450 /nfs/dbraw/zinc/22/04/50/215220450.db2.gz HOTPYSOOEFFSNY-GFCCVEGCSA-N 0 1 340.345 4.313 50 0 EIAAMN Cc1nnc(-c2cccc(-c3ccc([C@H](C)N4CCOCC4)cc3)c2)o1 ZINC000067935240 215254610 /nfs/dbraw/zinc/25/46/10/215254610.db2.gz QSHBNPCHGPYYNS-HNNXBMFYSA-N 0 1 349.434 4.105 50 0 EIAAMN CSc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000040478374 213314038 /nfs/dbraw/zinc/31/40/38/213314038.db2.gz OZKYHHATVFRKHF-UHFFFAOYSA-N 0 1 327.384 4.190 50 0 EIAAMN Cc1nc2c(cccc2C(=O)N2CCC[C@H](CCc3ccccc3)C2)[nH]1 ZINC000071763176 215819092 /nfs/dbraw/zinc/81/90/92/215819092.db2.gz JTKCCJITVQHFAL-GOSISDBHSA-N 0 1 347.462 4.356 50 0 EIAAMN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000000295249 209521026 /nfs/dbraw/zinc/52/10/26/209521026.db2.gz SDWHHCLFKOGDNN-UHFFFAOYSA-N 0 1 335.734 4.160 50 0 EIAAMN Clc1ccc2nc(CCCn3ccnc3-c3ccoc3)[nH]c2c1 ZINC000072418993 216207415 /nfs/dbraw/zinc/20/74/15/216207415.db2.gz UDLYQVVVYUKVQD-UHFFFAOYSA-N 0 1 326.787 4.306 50 0 EIAAMN CCCCCCOc1ccc(CN2CCC(C(=O)OCC)CC2)cc1 ZINC000023281525 212366468 /nfs/dbraw/zinc/36/64/68/212366468.db2.gz DRJCDBDHGYWMCP-UHFFFAOYSA-N 0 1 347.499 4.421 50 0 EIAAMN Clc1ccc(CNCc2ccc(-n3ccnc3)cc2)c(Cl)c1 ZINC000022772014 212323473 /nfs/dbraw/zinc/32/34/73/212323473.db2.gz HOBLZEIUWLCYLJ-UHFFFAOYSA-N 0 1 332.234 4.469 50 0 EIAAMN CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000022687710 212317541 /nfs/dbraw/zinc/31/75/41/212317541.db2.gz DAVKHHDGGUJCDD-LBPRGKRZSA-N 0 1 343.279 4.088 50 0 EIAAMN CCCNc1nc(NC2CCCCC2)nc(NC2CCCCC2)n1 ZINC000019897977 212080678 /nfs/dbraw/zinc/08/06/78/212080678.db2.gz COVAOUDLLZAJLU-UHFFFAOYSA-N 0 1 332.496 4.183 50 0 EIAAMN CCC[C@H](NC(=O)c1ccc(CN2CCCC2)o1)c1ccccc1 ZINC000019789570 212066997 /nfs/dbraw/zinc/06/69/97/212066997.db2.gz ZVJBALIZZIYNMS-SFHVURJKSA-N 0 1 326.440 4.147 50 0 EIAAMN Cc1nc(CCN2CCC(Oc3ccccc3Cl)CC2)cs1 ZINC000019228339 212006885 /nfs/dbraw/zinc/00/68/85/212006885.db2.gz WPDVREDEOPZEMT-UHFFFAOYSA-N 0 1 336.888 4.191 50 0 EIAAMN Cc1ccc(C)c(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)c1 ZINC000012475493 211391551 /nfs/dbraw/zinc/39/15/51/211391551.db2.gz QPAWEDWPORRHBD-UHFFFAOYSA-N 0 1 335.407 4.268 50 0 EIAAMN Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2ccccn2)C1 ZINC000012448655 211386694 /nfs/dbraw/zinc/38/66/94/211386694.db2.gz GQXJEJKGYWJGMI-HNNXBMFYSA-N 0 1 328.843 4.138 50 0 EIAAMN CCOc1ccccc1-c1nc(CN2CCCC[C@H]2COC)c(C)o1 ZINC000011815048 211250955 /nfs/dbraw/zinc/25/09/55/211250955.db2.gz KANNDGAOGXSFSP-INIZCTEOSA-N 0 1 344.455 4.050 50 0 EIAAMN CCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2CC ZINC000009942055 211134410 /nfs/dbraw/zinc/13/44/10/211134410.db2.gz CJDBDFIWVANBBW-UHFFFAOYSA-N 0 1 342.487 4.171 50 0 EIAAMN CCc1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 ZINC000009436541 211082687 /nfs/dbraw/zinc/08/26/87/211082687.db2.gz QWYCSDVTEZWIJJ-UHFFFAOYSA-N 0 1 325.437 4.165 50 0 EIAAMN Cc1ccc2nc(CCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000008772038 211003194 /nfs/dbraw/zinc/00/31/94/211003194.db2.gz UXTXXHHJKPQCDA-UHFFFAOYSA-N 0 1 347.340 4.461 50 0 EIAAMN CSCC[C@@H](N[C@@H](C)c1cccc(C)c1)c1nnc2ccccn21 ZINC000095419563 218359565 /nfs/dbraw/zinc/35/95/65/218359565.db2.gz KVQVFBJSCAZXGB-DOTOQJQBSA-N 0 1 340.496 4.183 50 0 EIAAMN C[C@@H](NCc1ccc(OCc2ccccn2)cc1)c1cncc(F)c1 ZINC000095420539 218361407 /nfs/dbraw/zinc/36/14/07/218361407.db2.gz XQJUMIBBFKFDMW-OAHLLOKOSA-N 0 1 337.398 4.046 50 0 EIAAMN Cc1cc([C@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 ZINC000095421261 218363488 /nfs/dbraw/zinc/36/34/88/218363488.db2.gz TUGFWRNVJDCNSB-KGLIPLIRSA-N 0 1 328.412 4.265 50 0 EIAAMN CC(C)Oc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1F ZINC000095422041 218363987 /nfs/dbraw/zinc/36/39/87/218363987.db2.gz FNBUPEJHUUWKNZ-LFPIHBKWSA-N 0 1 349.471 4.201 50 0 EIAAMN COc1ccc2c(c1)[C@@H](N[C@H](c1ncccc1C)C(C)C)CCO2 ZINC000095422490 218364875 /nfs/dbraw/zinc/36/48/75/218364875.db2.gz QIVMZPLCSIVGGT-HKUYNNGSSA-N 0 1 326.440 4.209 50 0 EIAAMN CCOc1ccc(-n2c(CCc3ccccc3)n[nH]c2=S)cc1 ZINC000005823161 210543954 /nfs/dbraw/zinc/54/39/54/210543954.db2.gz IOXFEAUVOCCBMC-UHFFFAOYSA-N 0 1 325.437 4.114 50 0 EIAAMN Cc1ccc(-c2nnc(CN3CCC(Cc4ccccc4)CC3)o2)cc1 ZINC000005031988 210368604 /nfs/dbraw/zinc/36/86/04/210368604.db2.gz 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564026165 /nfs/dbraw/zinc/02/61/65/564026165.db2.gz BJHPRBFGPURCCI-UHFFFAOYSA-N 0 1 341.798 4.381 50 0 EIAAMN Cc1noc([C@H](C)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000044585370 564027022 /nfs/dbraw/zinc/02/70/22/564027022.db2.gz MTLXDKGOZYFZRO-KSSFIOAISA-N 0 1 346.434 4.342 50 0 EIAAMN COc1ccc(Oc2ccc(CNCc3ccsc3)cn2)cc1 ZINC000047719798 564029662 /nfs/dbraw/zinc/02/96/62/564029662.db2.gz MLCIHYKTKCFTCM-UHFFFAOYSA-N 0 1 326.421 4.234 50 0 EIAAMN C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1nc(C(C)(C)C)no1 ZINC000048325778 564030985 /nfs/dbraw/zinc/03/09/85/564030985.db2.gz DOFJQTWGBOQLIX-SNVBAGLBSA-N 0 1 329.429 4.006 50 0 EIAAMN COc1cccc([C@@H](NCCCOc2ccccc2)c2ccccn2)c1 ZINC000225387142 564046297 /nfs/dbraw/zinc/04/62/97/564046297.db2.gz AOMHIHOFRRQREH-JOCHJYFZSA-N 0 1 348.446 4.238 50 0 EIAAMN COc1cccc([C@H](NCCCOc2ccccc2)c2ccccn2)c1 ZINC000225387108 564046321 /nfs/dbraw/zinc/04/63/21/564046321.db2.gz AOMHIHOFRRQREH-QFIPXVFZSA-N 0 1 348.446 4.238 50 0 EIAAMN COc1ccc(CNCc2ccc(Sc3ccccn3)o2)cc1 ZINC000239351921 564051584 /nfs/dbraw/zinc/05/15/84/564051584.db2.gz AANVGNGBMSXVSO-UHFFFAOYSA-N 0 1 326.421 4.124 50 0 EIAAMN Clc1cccc(OCCSc2nc(-c3ccccc3)n[nH]2)c1 ZINC000005937881 564057151 /nfs/dbraw/zinc/05/71/51/564057151.db2.gz ZCASSIQDLJAPLZ-UHFFFAOYSA-N 0 1 331.828 4.296 50 0 EIAAMN CSc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000012583136 564060101 /nfs/dbraw/zinc/06/01/01/564060101.db2.gz RIHMZYZISAXYSK-UHFFFAOYSA-N 0 1 337.448 4.071 50 0 EIAAMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C3CCCC3)n[nH]2)s1 ZINC000084205718 564067409 /nfs/dbraw/zinc/06/74/09/564067409.db2.gz NTGGBBSJBKFNBK-MRXNPFEDSA-N 0 1 329.469 4.241 50 0 EIAAMN COc1cccc2cc([C@@H](C)NCc3ccc([S@@](C)=O)cc3)oc21 ZINC000085299269 564072454 /nfs/dbraw/zinc/07/24/54/564072454.db2.gz MJVYCTUFHLBTKM-OZAJXLCCSA-N 0 1 343.448 4.030 50 0 EIAAMN Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc1 ZINC000006300692 564083724 /nfs/dbraw/zinc/08/37/24/564083724.db2.gz LWJORFUELOKRQJ-KRWDZBQOSA-N 0 1 341.480 4.252 50 0 EIAAMN CCn1c(-c2cc(NC(=O)CC(C)C)[nH]n2)cc2cc(OC)ccc21 ZINC000075544398 564088688 /nfs/dbraw/zinc/08/86/88/564088688.db2.gz GKDHEDOWGWBPEX-UHFFFAOYSA-N 0 1 340.427 4.045 50 0 EIAAMN Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CN=Nc1cccc2cccnc21 ZINC000252622635 564090721 /nfs/dbraw/zinc/09/07/21/564090721.db2.gz NZLDRHMJHUKHJL-UHFFFAOYSA-N 0 1 345.362 4.379 50 0 EIAAMN Cc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006510489 564091283 /nfs/dbraw/zinc/09/12/83/564091283.db2.gz PTKWIVKBDWUOTQ-UHFFFAOYSA-N 0 1 334.199 4.242 50 0 EIAAMN Cc1ccc(CN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)o1 ZINC000007017720 564103186 /nfs/dbraw/zinc/10/31/86/564103186.db2.gz AQIFWNMHPPQYSY-UHFFFAOYSA-N 0 1 334.419 4.472 50 0 EIAAMN CC(C)n1cc(S(=O)(=O)Nc2cccc(Cl)c2)c2cccnc21 ZINC000065242207 564103390 /nfs/dbraw/zinc/10/33/90/564103390.db2.gz DYNHRPQEQHOSRC-UHFFFAOYSA-N 0 1 349.843 4.071 50 0 EIAAMN Cc1cc(C)cc(-c2ccc(CN(C)[C@H](C)C[S@](C)=O)cc2)c1 ZINC000170595421 564109066 /nfs/dbraw/zinc/10/90/66/564109066.db2.gz LAHHCWBAVPALSR-HXOBKFHXSA-N 0 1 329.509 4.169 50 0 EIAAMN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(F)c(F)c2F)S1 ZINC000071289117 564110977 /nfs/dbraw/zinc/11/09/77/564110977.db2.gz HUVRICCYRQHCNM-CYBMUJFWSA-N 0 1 341.358 4.473 50 0 EIAAMN Cc1sc(NC(=O)CN(C)CC2CC2)nc1-c1ccc(Cl)cc1 ZINC000071812722 564111186 /nfs/dbraw/zinc/11/11/86/564111186.db2.gz TZYOCLLDIDBZAI-UHFFFAOYSA-N 0 1 349.887 4.052 50 0 EIAAMN c1coc(-c2ncc(CN[C@@H](c3ccccc3)[C@H]3CCCO3)s2)c1 ZINC000193068558 564118355 /nfs/dbraw/zinc/11/83/55/564118355.db2.gz DIKRGGLHOCNTEH-AEFFLSMTSA-N 0 1 340.448 4.413 50 0 EIAAMN Cc1nc([C@@H]2CCCCN2C(=O)Nc2ccc(C3CCC3)cc2)n[nH]1 ZINC000374707146 564137399 /nfs/dbraw/zinc/13/73/99/564137399.db2.gz LYKFHTBAXCSBIP-KRWDZBQOSA-N 0 1 339.443 4.140 50 0 EIAAMN CS[C@H](C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000096434804 564147979 /nfs/dbraw/zinc/14/79/79/564147979.db2.gz POBGPZZOZZEIKX-JJRVBVJISA-N 0 1 335.517 4.057 50 0 EIAAMN CC(C)Oc1ccc(CN[C@H](C)c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000096476960 564148469 /nfs/dbraw/zinc/14/84/69/564148469.db2.gz APPLJYRMPBFTAC-GFCCVEGCSA-N 0 1 341.377 4.077 50 0 EIAAMN Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)ccc1F ZINC000057412367 564154099 /nfs/dbraw/zinc/15/40/99/564154099.db2.gz NPKQWNXVBXHSAY-UHFFFAOYSA-N 0 1 329.762 4.430 50 0 EIAAMN Cc1c(F)cccc1NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412738 564154189 /nfs/dbraw/zinc/15/41/89/564154189.db2.gz STSXNEMZKIEKIQ-UHFFFAOYSA-N 0 1 329.762 4.430 50 0 EIAAMN Cc1ccc(-c2noc(-c3[nH]nc4c3CCc3ccccc3-4)n2)cc1 ZINC000057509586 564154619 /nfs/dbraw/zinc/15/46/19/564154619.db2.gz UASHWTAWQWMVDD-UHFFFAOYSA-N 0 1 328.375 4.201 50 0 EIAAMN COc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000008127131 564162843 /nfs/dbraw/zinc/16/28/43/564162843.db2.gz SQLVZRGBUYALHW-INIZCTEOSA-N 0 1 348.446 4.307 50 0 EIAAMN COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc3ccccc3c2)cc1 ZINC000008316665 564164244 /nfs/dbraw/zinc/16/42/44/564164244.db2.gz LYPBFEGZOSHYCA-INIZCTEOSA-N 0 1 348.446 4.307 50 0 EIAAMN c1ccc(SCCOCCN2CCCC[C@H]2c2cccnc2)cc1 ZINC000008744434 564167172 /nfs/dbraw/zinc/16/71/72/564167172.db2.gz UIMVARSOZJNXHS-FQEVSTJZSA-N 0 1 342.508 4.418 50 0 biogenic EIAAMN CCC[C@H](C)N1Cc2cccc(NC(=O)Cc3csc(C)n3)c2C1 ZINC000069736838 564171762 /nfs/dbraw/zinc/17/17/62/564171762.db2.gz PIJQKSYQGLYXIN-ZDUSSCGKSA-N 0 1 343.496 4.137 50 0 EIAAMN CCc1c(NC(=O)[C@@H]2CCCc3ccccc32)[nH]nc1-c1ccncc1 ZINC000069776252 564172128 /nfs/dbraw/zinc/17/21/28/564172128.db2.gz IFZVHQIQKJBQIH-GOSISDBHSA-N 0 1 346.434 4.093 50 0 EIAAMN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc2n[nH]cc21 ZINC000042018409 564174606 /nfs/dbraw/zinc/17/46/06/564174606.db2.gz UNGIUXKBPLSPGS-LLVKDONJSA-N 0 1 336.420 4.006 50 0 EIAAMN CN(Cc1cc(-c2ccco2)on1)[C@H]1CCCN(c2ccccc2)C1 ZINC000177794862 1021706803 /nfs/dbraw/zinc/70/68/03/1021706803.db2.gz UNMIUXRVZJUSKW-SFHVURJKSA-N 0 1 337.423 4.035 50 0 EIAAMN CSc1ncc(CN2CCCC[C@H]2CCc2cccs2)cn1 ZINC000952968588 1049688156 /nfs/dbraw/zinc/68/81/56/1049688156.db2.gz FNGYAFNPJRYPHF-HNNXBMFYSA-N 0 1 333.526 4.247 50 0 EIAAMN Cc1nccn1-c1ccc(CNCc2cc(Cl)cc(Cl)c2)cn1 ZINC000054176213 214221473 /nfs/dbraw/zinc/22/14/73/214221473.db2.gz UJQVPRKKYIDZIJ-UHFFFAOYSA-N 0 1 347.249 4.172 50 0 EIAAMN CCOc1ccccc1CNc1ncc(-c2ccc(F)cc2)n1C ZINC000004678445 210243973 /nfs/dbraw/zinc/24/39/73/210243973.db2.gz IMHNATXALHZFJI-UHFFFAOYSA-N 0 1 325.387 4.237 50 0 EIAAMN Cc1ccc2nc(SCc3nc(-c4cccs4)no3)[nH]c2c1 ZINC000004385887 210184879 /nfs/dbraw/zinc/18/48/79/210184879.db2.gz OLNMRMBNJWZUJP-UHFFFAOYSA-N 0 1 328.422 4.275 50 0 EIAAMN Cc1n[nH]c2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C2 ZINC000003983816 210097976 /nfs/dbraw/zinc/09/79/76/210097976.db2.gz HVPVPQFZGNASDB-QPQISGKWSA-N 0 1 326.484 4.056 50 0 biogenic EIAAMN CSc1nc2n(n1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102610997 219213716 /nfs/dbraw/zinc/21/37/16/219213716.db2.gz IRILMNHERAXBJL-CYBMUJFWSA-N 0 1 346.481 4.369 50 0 EIAAMN CCOc1ccc(C(=O)[C@H](Cc2ccccc2)N2CCCCC2)cc1 ZINC000003384316 210023470 /nfs/dbraw/zinc/02/34/70/210023470.db2.gz AEGFSIMEYMWKAI-NRFANRHFSA-N 0 1 337.463 4.365 50 0 EIAAMN COc1ccc(CNCc2sc(-c3ccccc3)nc2C)cc1O ZINC000067011822 215103836 /nfs/dbraw/zinc/10/38/36/215103836.db2.gz HXNDBRVIBRRXQV-UHFFFAOYSA-N 0 1 340.448 4.123 50 0 EIAAMN Cc1nc(-c2cccc(-c3ccc([C@@H](C)N4CCOCC4)cc3)c2)no1 ZINC000067654896 215175984 /nfs/dbraw/zinc/17/59/84/215175984.db2.gz LUCXVYOHCSMDNG-OAHLLOKOSA-N 0 1 349.434 4.105 50 0 EIAAMN Cc1nnc(-c2cccc(-c3ccc([C@@H](C)N4CCOCC4)cc3)c2)o1 ZINC000067935239 215254898 /nfs/dbraw/zinc/25/48/98/215254898.db2.gz QSHBNPCHGPYYNS-OAHLLOKOSA-N 0 1 349.434 4.105 50 0 EIAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CC=C(c2ccccc2)CC1 ZINC000040478398 213313732 /nfs/dbraw/zinc/31/37/32/213313732.db2.gz JFNAVMUUKPERID-UHFFFAOYSA-N 0 1 347.393 4.145 50 0 EIAAMN O[C@H](Cc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1F ZINC000036103029 213067975 /nfs/dbraw/zinc/06/79/75/213067975.db2.gz MSPIYUMCKYKYQR-JOCHJYFZSA-N 0 1 349.449 4.432 50 0 EIAAMN COc1ccc(-n2cccn2)c(CN2CCCC[C@@H]2c2ccccn2)c1 ZINC000072168636 216059352 /nfs/dbraw/zinc/05/93/52/216059352.db2.gz IIPFFOSTCSZJHO-OAQYLSRUSA-N 0 1 348.450 4.003 50 0 EIAAMN Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C ZINC000000101828 209421255 /nfs/dbraw/zinc/42/12/55/209421255.db2.gz FSPSKLYZFDEPDK-UHFFFAOYSA-N 0 1 330.236 4.411 50 0 EIAAMN Cc1nc([C@H]2CC(=O)N(c3cccc(F)c3)C2)[nH]c1-c1ccccc1 ZINC000023311304 212367141 /nfs/dbraw/zinc/36/71/41/212367141.db2.gz LAJQTXXPSJOHLE-HNNXBMFYSA-N 0 1 335.382 4.045 50 0 EIAAMN Cc1nc([C@@H]2CC(=O)N(CC(C)C)C2)[nH]c1-c1ccc(Cl)cc1 ZINC000023159593 212357431 /nfs/dbraw/zinc/35/74/31/212357431.db2.gz ODSXIHJMUCNXMO-CQSZACIVSA-N 0 1 331.847 4.010 50 0 EIAAMN CCN(CC)[C@@H](C(=O)Nc1cccc2cccnc21)c1ccccc1 ZINC000075108847 216557307 /nfs/dbraw/zinc/55/73/07/216557307.db2.gz XEBJYUPNIQNLSF-HXUWFJFHSA-N 0 1 333.435 4.256 50 0 EIAAMN COC(=O)CCNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000022205936 212282339 /nfs/dbraw/zinc/28/23/39/212282339.db2.gz QPZMWXOYTJBELZ-UHFFFAOYSA-N 0 1 345.442 4.131 50 0 EIAAMN COc1cc(CN(C)CCc2ccncc2)c(Cl)cc1OC(C)C ZINC000215102884 241105212 /nfs/dbraw/zinc/10/52/12/241105212.db2.gz ZGPQXMSITHNHSS-UHFFFAOYSA-N 0 1 348.874 4.205 50 0 EIAAMN COc1cc(CN2CCC[C@H]2c2c(C)noc2C)ccc1OC(C)C ZINC000021720286 212244320 /nfs/dbraw/zinc/24/43/20/212244320.db2.gz XPXVJVJNTWZUBM-KRWDZBQOSA-N 0 1 344.455 4.424 50 0 EIAAMN Fc1ccc([C@H](CCN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020591209 212150428 /nfs/dbraw/zinc/15/04/28/212150428.db2.gz HXIGEHGZVUBWJV-LJQANCHMSA-N 0 1 333.834 4.333 50 0 EIAAMN C[C@@H]1CN(CCCOc2ccc(Cl)c3ccccc23)C[C@@H](C)O1 ZINC000020167324 212108614 /nfs/dbraw/zinc/10/86/14/212108614.db2.gz LBXLFNZMNYGFSZ-HUUCEWRRSA-N 0 1 333.859 4.371 50 0 EIAAMN Clc1cccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)c1 ZINC000019360189 212021386 /nfs/dbraw/zinc/02/13/86/212021386.db2.gz BFRBUBBAYOZRQM-UHFFFAOYSA-N 0 1 339.870 4.139 50 0 EIAAMN Clc1ccccc1CN1CCC(c2nnc(-c3ccco3)o2)CC1 ZINC000049372053 214002635 /nfs/dbraw/zinc/00/26/35/214002635.db2.gz RPWQLIWYDWKWSF-UHFFFAOYSA-N 0 1 343.814 4.363 50 0 EIAAMN CSc1ccc(CN2CC(c3nc(-c4cccs4)no3)C2)cc1 ZINC000049484399 214012549 /nfs/dbraw/zinc/01/25/49/214012549.db2.gz LXPKOLIQEHKQQB-UHFFFAOYSA-N 0 1 343.477 4.119 50 0 EIAAMN OC[C@]1(Cc2ccccc2)CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000012430836 211377433 /nfs/dbraw/zinc/37/74/33/211377433.db2.gz PDNDSRQTMGQSOZ-FQEVSTJZSA-N 0 1 347.861 4.296 50 0 EIAAMN Fc1ccccc1Cc1noc(CN2CC[C@@H](C3CCCCC3)C2)n1 ZINC000012314977 211344904 /nfs/dbraw/zinc/34/49/04/211344904.db2.gz YZSRVJJNEAIAQX-QGZVFWFLSA-N 0 1 343.446 4.202 50 0 EIAAMN O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000012304727 211338686 /nfs/dbraw/zinc/33/86/86/211338686.db2.gz MWTZCJSNENNJGD-INIZCTEOSA-N 0 1 348.368 4.195 50 0 EIAAMN O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000012300066 211337272 /nfs/dbraw/zinc/33/72/72/211337272.db2.gz RGFSVZWCNHXBLS-MRXNPFEDSA-N 0 1 329.827 4.141 50 0 EIAAMN CCN(CC)[C@@H](CNC(=O)c1cccc(C)c1)c1ccccc1Cl ZINC000011917258 211270516 /nfs/dbraw/zinc/27/05/16/211270516.db2.gz HSCSMHKHFVDULP-IBGZPJMESA-N 0 1 344.886 4.461 50 0 EIAAMN COc1ccc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000011933262 211269697 /nfs/dbraw/zinc/26/96/97/211269697.db2.gz QHNDYILRHJRKBR-KRWDZBQOSA-N 0 1 343.854 4.444 50 0 EIAAMN CCCc1cc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)n[nH]1 ZINC000091894944 218085612 /nfs/dbraw/zinc/08/56/12/218085612.db2.gz ZVKXFQJAYDSCRS-SFHVURJKSA-N 0 1 329.419 4.259 50 0 EIAAMN COc1ccc(-c2cc(C(=O)N(C)CCCC3CCCC3)n[nH]2)cc1 ZINC000092047056 218110406 /nfs/dbraw/zinc/11/04/06/218110406.db2.gz UGBNDOOSJLDBGK-UHFFFAOYSA-N 0 1 341.455 4.128 50 0 EIAAMN CN(C)[C@@H](CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000010329693 211164720 /nfs/dbraw/zinc/16/47/20/211164720.db2.gz OKJHMWZAFZQHIL-FQEVSTJZSA-N 0 1 336.410 4.012 50 0 EIAAMN COc1ccc(Cc2n[nH]c(SCc3ccc(C)cc3)n2)cc1 ZINC000009582285 211105707 /nfs/dbraw/zinc/10/57/07/211105707.db2.gz FBJGZSMZPQCBNX-UHFFFAOYSA-N 0 1 325.437 4.005 50 0 EIAAMN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C)o2)cc1Cn1cccn1 ZINC000095419419 218359136 /nfs/dbraw/zinc/35/91/36/218359136.db2.gz 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ZINC000057412647 564154151 /nfs/dbraw/zinc/15/41/51/564154151.db2.gz WMIFJEOIJCGNLW-UHFFFAOYSA-N 0 1 329.762 4.430 50 0 EIAAMN C[C@@H](N[C@@H](c1cccs1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000057508785 564154608 /nfs/dbraw/zinc/15/46/08/564154608.db2.gz QFOSPGQRYDHJKR-DNVCBOLYSA-N 0 1 336.460 4.454 50 0 EIAAMN C[C@@H](NCc1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003284443 564156984 /nfs/dbraw/zinc/15/69/84/564156984.db2.gz UZAQKDSLSVVUPR-SECBINFHSA-N 0 1 329.252 4.172 50 0 EIAAMN CCCCCN(C(=O)NC[C@@H](c1ccco1)N1CCCC1)C(C)C ZINC000058060266 564157386 /nfs/dbraw/zinc/15/73/86/564157386.db2.gz WBYBOKVWHOZCRK-KRWDZBQOSA-N 0 1 335.492 4.027 50 0 EIAAMN CCc1ccc(C(=O)CSc2n[nH]c(CC3CCCC3)n2)s1 ZINC000031798239 564159870 /nfs/dbraw/zinc/15/98/70/564159870.db2.gz KHIWIUUGPMEGPR-UHFFFAOYSA-N 0 1 335.498 4.136 50 0 EIAAMN CCc1ccc(C(=O)CSc2nc(CC3CCCC3)n[nH]2)s1 ZINC000031798239 564159871 /nfs/dbraw/zinc/15/98/71/564159871.db2.gz KHIWIUUGPMEGPR-UHFFFAOYSA-N 0 1 335.498 4.136 50 0 EIAAMN O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1sccc1Cl ZINC000670463852 564161711 /nfs/dbraw/zinc/16/17/11/564161711.db2.gz GBKQCHZMJVMVEL-OAHLLOKOSA-N 0 1 348.899 4.011 50 0 EIAAMN C[C@@H](NCc1nc2ccccc2n1C)c1ccc(OC(F)F)cc1 ZINC000066970945 564164878 /nfs/dbraw/zinc/16/48/78/564164878.db2.gz WLUBVHRPLWFWSX-GFCCVEGCSA-N 0 1 331.366 4.026 50 0 EIAAMN c1ccc(SCCOCCN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000008744433 564167202 /nfs/dbraw/zinc/16/72/02/564167202.db2.gz UIMVARSOZJNXHS-HXUWFJFHSA-N 0 1 342.508 4.418 50 0 biogenic EIAAMN O=C(Nc1nc(-c2ccccc2)ns1)c1cc(-c2ccccc2)on1 ZINC000077893029 564176855 /nfs/dbraw/zinc/17/68/55/564176855.db2.gz ANRUELNEUZTXMT-UHFFFAOYSA-N 0 1 348.387 4.112 50 0 EIAAMN Cc1ccc(C(=O)N2CCC[C@@H](n3c(C)cnc3C3CCC3)C2)s1 ZINC000575547591 1045256081 /nfs/dbraw/zinc/25/60/81/1045256081.db2.gz KJJIYTMGIBGDJV-MRXNPFEDSA-N 0 1 343.496 4.306 50 0 EIAAMN Clc1cnccc1CN(Cc1ccccc1)CC1CCOCC1 ZINC000075721170 1048758862 /nfs/dbraw/zinc/75/88/62/1048758862.db2.gz YEVZQVDGLGCKBY-UHFFFAOYSA-N 0 1 330.859 4.164 50 0 EIAAMN CSc1ncc(CN2CCCC[C@@H]2CCc2cccs2)cn1 ZINC000952968627 1049688453 /nfs/dbraw/zinc/68/84/53/1049688453.db2.gz FNGYAFNPJRYPHF-OAHLLOKOSA-N 0 1 333.526 4.247 50 0 EIAAMN Cc1nc2cc(CNCc3ccc([C@H]4CCCCO4)o3)ccc2n1C ZINC000952968514 1049689481 /nfs/dbraw/zinc/68/94/81/1049689481.db2.gz CIHKZNLPLMVAQY-LJQANCHMSA-N 0 1 339.439 4.006 50 0 EIAAMN Cc1cc2oc(=O)cc(CN3CCC[C@@H]3c3cccn3C)c2cc1C ZINC000007854783 1049838618 /nfs/dbraw/zinc/83/86/18/1049838618.db2.gz GXMWFBRZWCFBGK-LJQANCHMSA-N 0 1 336.435 4.085 50 0 EIAAMN Cc1cnc(C2CCC2)n1[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000581806953 1060019582 /nfs/dbraw/zinc/01/95/82/1060019582.db2.gz FHTFESIANFFQOG-SFHVURJKSA-N 0 1 329.488 4.203 50 0 EIAAMN CCOc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@@H]3C)[nH]n2)cc1 ZINC000051315532 214086990 /nfs/dbraw/zinc/08/69/90/214086990.db2.gz UCMPFLKFECQOFL-AWEZNQCLSA-N 0 1 347.418 4.067 50 0 EIAAMN O=C(Nc1cc(F)ccc1F)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057412294 214426099 /nfs/dbraw/zinc/42/60/99/214426099.db2.gz COCZVJIGSUXLHJ-UHFFFAOYSA-N 0 1 333.725 4.261 50 0 EIAAMN C[C@H]1CCCC[C@H]1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000004484937 210199775 /nfs/dbraw/zinc/19/97/75/210199775.db2.gz IQKBAQYTPYKTKN-CMPLNLGQSA-N 0 1 337.876 4.003 50 0 EIAAMN COc1cc(CNCc2ccccn2)ccc1OCc1ccccc1C ZINC000004413638 210189533 /nfs/dbraw/zinc/18/95/33/210189533.db2.gz DXEWNZDJRHXRRK-UHFFFAOYSA-N 0 1 348.446 4.267 50 0 EIAAMN C[C@@H]1CCC[C@@H](C)N1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000003322024 210007169 /nfs/dbraw/zinc/00/71/69/210007169.db2.gz JSQYUKKJLJXHJF-QZTJIDSGSA-N 0 1 336.479 4.479 50 0 EIAAMN FC(F)(F)c1c[nH]c(=NNC(=S)Nc2ccccc2)c(Cl)c1 ZINC000003310523 210002817 /nfs/dbraw/zinc/00/28/17/210002817.db2.gz UTDHUFHCAIRSMC-UHFFFAOYSA-N 0 1 346.765 4.067 50 0 EIAAMN COc1cccc(-c2nc(CN(C)[C@@H](C)C3CC3)cs2)c1OC ZINC000069371665 215391417 /nfs/dbraw/zinc/39/14/17/215391417.db2.gz JYHPIAMLZMSFFT-LBPRGKRZSA-N 0 1 332.469 4.058 50 0 EIAAMN O[C@@H](Cc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1F ZINC000036103027 213067313 /nfs/dbraw/zinc/06/73/13/213067313.db2.gz MSPIYUMCKYKYQR-QFIPXVFZSA-N 0 1 349.449 4.432 50 0 EIAAMN COC[C@H]1CCCN(Cc2nc(-c3ccccc3Cl)oc2C)C1 ZINC000072410912 216202703 /nfs/dbraw/zinc/20/27/03/216202703.db2.gz OFDGXSYSBPCOTD-AWEZNQCLSA-N 0 1 334.847 4.162 50 0 EIAAMN Clc1ccc(Cn2c3ccccc3nc2CN2CCCC2)cc1 ZINC000000057260 209392982 /nfs/dbraw/zinc/39/29/82/209392982.db2.gz CJXAEXPPLWQRFR-UHFFFAOYSA-N 0 1 325.843 4.334 50 0 world EIAAMN COc1ccc(CN[C@H](C)c2cccc(Cl)c2)c(OC)c1OC ZINC000022781629 212323425 /nfs/dbraw/zinc/32/34/25/212323425.db2.gz YABWLIUNYNYWKU-GFCCVEGCSA-N 0 1 335.831 4.217 50 0 EIAAMN CN(C)[C@@H](CNC(=O)c1cc2c(cccc2F)s1)c1cccs1 ZINC000022687702 212317821 /nfs/dbraw/zinc/31/78/21/212317821.db2.gz PMDFDFOUDXQGFQ-ZDUSSCGKSA-N 0 1 348.468 4.135 50 0 EIAAMN CN(Cc1cc(-c2ccncc2)no1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000215343454 241120879 /nfs/dbraw/zinc/12/08/79/241120879.db2.gz QKRAAYYSYMVSJE-UHFFFAOYSA-N 0 1 349.434 4.082 50 0 EIAAMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000227219853 242127322 /nfs/dbraw/zinc/12/73/22/242127322.db2.gz FIAXFZJVOJRGJM-UGFHNGPFSA-N 0 1 328.239 4.211 50 0 EIAAMN Fc1ccc([C@@H](CCN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020591206 212149834 /nfs/dbraw/zinc/14/98/34/212149834.db2.gz HXIGEHGZVUBWJV-IBGZPJMESA-N 0 1 333.834 4.333 50 0 EIAAMN Cc1ccccc1NC(=O)NCCN1CCC(c2cccs2)CC1 ZINC000077104348 216839024 /nfs/dbraw/zinc/83/90/24/216839024.db2.gz SBVHDEKSAZWMQD-UHFFFAOYSA-N 0 1 343.496 4.058 50 0 EIAAMN Clc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000020149863 212106274 /nfs/dbraw/zinc/10/62/74/212106274.db2.gz IQZJGHNQWUIYKY-UHFFFAOYSA-N 0 1 339.870 4.139 50 0 EIAAMN c1ccc(CN2CCN(CCOc3cccc4ccccc43)CC2)cc1 ZINC000020118117 212103295 /nfs/dbraw/zinc/10/32/95/212103295.db2.gz OYICGQBIZLMSGL-UHFFFAOYSA-N 0 1 346.474 4.036 50 0 EIAAMN CCc1[nH]c(SCC(=O)c2ccc(Br)cc2)nc1C ZINC000020095052 212100471 /nfs/dbraw/zinc/10/04/71/212100471.db2.gz IGXFCZVRVKLKFC-UHFFFAOYSA-N 0 1 339.258 4.018 50 0 EIAAMN c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1 ZINC000019912832 212083845 /nfs/dbraw/zinc/08/38/45/212083845.db2.gz ZJMLMBICUVVJDX-UHFFFAOYSA-N 0 1 329.443 4.311 50 0 in-vitro EIAAMN Fc1ccc([C@H](Cn2cnc3ccccc32)NCc2ccncc2)cc1 ZINC000078552697 217073848 /nfs/dbraw/zinc/07/38/48/217073848.db2.gz VZGIYBDCZCUQDQ-FQEVSTJZSA-N 0 1 346.409 4.102 50 0 EIAAMN Cc1n[nH]cc1CN[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000078553898 217075414 /nfs/dbraw/zinc/07/54/14/217075414.db2.gz ZHASOLNQJSSBID-LLVKDONJSA-N 0 1 330.432 4.140 50 0 EIAAMN CCCc1noc([C@H](C)Sc2nc(C=Cc3ccccc3)n[nH]2)n1 ZINC000012978071 211497504 /nfs/dbraw/zinc/49/75/04/211497504.db2.gz PPFVZLMJYZCGDF-IIANPFDCSA-N 0 1 341.440 4.164 50 0 EIAAMN OC[C@@]1(Cc2ccccc2)CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000012430835 211377221 /nfs/dbraw/zinc/37/72/21/211377221.db2.gz PDNDSRQTMGQSOZ-HXUWFJFHSA-N 0 1 347.861 4.296 50 0 EIAAMN Cc1c2cc(C)ccc2oc1C(=O)NCCc1nc2cccc(C)c2[nH]1 ZINC000012447164 211384895 /nfs/dbraw/zinc/38/48/95/211384895.db2.gz CHEZHKBENWPHBL-UHFFFAOYSA-N 0 1 347.418 4.207 50 0 EIAAMN CN(C)[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccsc1 ZINC000012349043 211354473 /nfs/dbraw/zinc/35/44/73/211354473.db2.gz QPFMBQYRUHBKDS-KRWDZBQOSA-N 0 1 330.497 4.078 50 0 EIAAMN O=C(NC[C@H](c1ccsc1)N1CCCC1)Nc1ccc(Cl)cc1 ZINC000012355575 211354383 /nfs/dbraw/zinc/35/43/83/211354383.db2.gz QHTAGZZQLMXAIY-MRXNPFEDSA-N 0 1 349.887 4.360 50 0 EIAAMN Cc1cccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)n1 ZINC000012319749 211344817 /nfs/dbraw/zinc/34/48/17/211344817.db2.gz FXRSVCJYTMRVIJ-INIZCTEOSA-N 0 1 328.843 4.138 50 0 EIAAMN Cc1c(C)c2cc(-c3ccn(-c4ccccc4)n3)c(O)c(C)c2oc1=O ZINC000011866511 211261112 /nfs/dbraw/zinc/26/11/12/211261112.db2.gz LTWMIILGUYWHJZ-UHFFFAOYSA-N 0 1 346.386 4.277 50 0 EIAAMN CCc1nc(SCc2csc(-c3ccc(Cl)cc3)n2)n[nH]1 ZINC000011714637 211239994 /nfs/dbraw/zinc/23/99/94/211239994.db2.gz AXRHHCYIDYIVSH-UHFFFAOYSA-N 0 1 336.873 4.436 50 0 EIAAMN CCc1n[nH]c(SCc2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000011714637 211239997 /nfs/dbraw/zinc/23/99/97/211239997.db2.gz AXRHHCYIDYIVSH-UHFFFAOYSA-N 0 1 336.873 4.436 50 0 EIAAMN O=C(CN1CCC[C@@H]1c1cccs1)Nc1cccc2ncccc21 ZINC000011759697 211245076 /nfs/dbraw/zinc/24/50/76/211245076.db2.gz TXKZWFSQVSSSBT-QGZVFWFLSA-N 0 1 337.448 4.072 50 0 EIAAMN Clc1ccccc1CN[C@@H]1CCCc2c1cnn2-c1ccccn1 ZINC000011668246 211233574 /nfs/dbraw/zinc/23/35/74/211233574.db2.gz BRZGPYZGYRKNEZ-QGZVFWFLSA-N 0 1 338.842 4.088 50 0 EIAAMN CCCc1cc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)n[nH]1 ZINC000091894943 218086044 /nfs/dbraw/zinc/08/60/44/218086044.db2.gz ZVKXFQJAYDSCRS-GOSISDBHSA-N 0 1 329.419 4.259 50 0 EIAAMN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(Cl)s1 ZINC000011092138 211203869 /nfs/dbraw/zinc/20/38/69/211203869.db2.gz MCDIOADBHYCTEQ-UHFFFAOYSA-N 0 1 331.872 4.494 50 0 EIAAMN Cc1ncsc1CCN(C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000095399429 218332504 /nfs/dbraw/zinc/33/25/04/218332504.db2.gz HJCDCQXVHXAZCQ-LJQANCHMSA-N 0 1 341.455 4.250 50 0 EIAAMN COc1ccc2c(c1)[C@H](N[C@H](c1ncccc1C)C(C)C)CCO2 ZINC000095422488 218364997 /nfs/dbraw/zinc/36/49/97/218364997.db2.gz QIVMZPLCSIVGGT-MJGOQNOKSA-N 0 1 326.440 4.209 50 0 EIAAMN C[C@]1(CCCO)CCC[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000095454746 218398629 /nfs/dbraw/zinc/39/86/29/218398629.db2.gz LTCUGAZLFMUJPV-GOSISDBHSA-N 0 1 334.847 4.122 50 0 EIAAMN CCCOc1ccc(CONC(=O)C(C)(C)c2ccccc2)cc1 ZINC000095454313 218398730 /nfs/dbraw/zinc/39/87/30/218398730.db2.gz AOZMEDHRRFAFFF-UHFFFAOYSA-N 0 1 327.424 4.001 50 0 EIAAMN CSc1ccc(CN2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000055292123 132194878 /nfs/dbraw/zinc/19/48/78/132194878.db2.gz DHGQQCDEABDCNU-UHFFFAOYSA-N 0 1 326.509 4.348 50 0 EIAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)c1ccc(Cl)cc1 ZINC000000115114 563231414 /nfs/dbraw/zinc/23/14/14/563231414.db2.gz PIJXIYJKAQEIDW-UHFFFAOYSA-N 0 1 335.841 4.162 50 0 EIAAMN CCOc1ccccc1Nc1cc(C)nc2ccc(C(=O)OC)cc21 ZINC000000144072 563243609 /nfs/dbraw/zinc/24/36/09/563243609.db2.gz ADEONPFBEMWJTM-UHFFFAOYSA-N 0 1 336.391 4.472 50 0 EIAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000000214513 563262003 /nfs/dbraw/zinc/26/20/03/563262003.db2.gz QTCXPIHNELNGIN-ZDUSSCGKSA-N 0 1 343.298 4.074 50 0 EIAAMN O=S(=O)(Nc1cccc2cccnc21)c1ccc2ccccc2c1 ZINC000001137799 563375997 /nfs/dbraw/zinc/37/59/97/563375997.db2.gz MAZMYJGUAOTQGL-UHFFFAOYSA-N 0 1 334.400 4.189 50 0 EIAAMN O=C(c1ccc(CN2CC=CC2)cc1)c1cccc(Br)c1 ZINC000002514893 563435635 /nfs/dbraw/zinc/43/56/35/563435635.db2.gz HGQZFGHKTRBOMN-UHFFFAOYSA-N 0 1 342.236 4.052 50 0 EIAAMN CCc1ccc(N(C(C)=O)C2CCN(Cc3ccsc3)CC2)cc1 ZINC000034683070 563450902 /nfs/dbraw/zinc/45/09/02/563450902.db2.gz JQEHGLLYVFPWDB-UHFFFAOYSA-N 0 1 342.508 4.328 50 0 EIAAMN Cc1n[nH]c(CCc2ccccc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000034795271 563480045 /nfs/dbraw/zinc/48/00/45/563480045.db2.gz IOYCGOJMYRJEAX-UHFFFAOYSA-N 0 1 339.826 4.409 50 0 EIAAMN CCCCc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 ZINC000006165337 563559900 /nfs/dbraw/zinc/55/99/00/563559900.db2.gz NPBRMNOSEVJPSY-UHFFFAOYSA-N 0 1 340.448 4.378 50 0 EIAAMN Cc1c([C@@H](C)NCc2cc(F)cc(F)c2)cnn1-c1cccc(F)c1 ZINC000012613315 563665425 /nfs/dbraw/zinc/66/54/25/563665425.db2.gz XQPGQISYTKQIEZ-GFCCVEGCSA-N 0 1 345.368 4.449 50 0 EIAAMN COc1ccc(CN(C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000016554427 563814825 /nfs/dbraw/zinc/81/48/25/563814825.db2.gz IRQWNRHSMVJISV-UHFFFAOYSA-N 0 1 337.419 4.050 50 0 EIAAMN Clc1ccccc1CN(Cc1ccccc1)c1ncnc2[nH]cnc21 ZINC000018283856 563851937 /nfs/dbraw/zinc/85/19/37/563851937.db2.gz BVXQOOHENWQFFB-UHFFFAOYSA-N 0 1 349.825 4.213 50 0 EIAAMN Cc1c(Cl)cccc1NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000043174700 563857578 /nfs/dbraw/zinc/85/75/78/563857578.db2.gz SMVHZZFXXXZFAC-CQSZACIVSA-N 0 1 337.876 4.134 50 0 EIAAMN C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000023954667 563867928 /nfs/dbraw/zinc/86/79/28/563867928.db2.gz NJWBZAQJIRGULL-GFCCVEGCSA-N 0 1 329.827 4.415 50 0 EIAAMN CN(C)[C@H](CNC(=O)c1cc(Cl)sc1Cl)c1ccsc1 ZINC000025330589 563883769 /nfs/dbraw/zinc/88/37/69/563883769.db2.gz CNDDWXDRBXQTTR-SNVBAGLBSA-N 0 1 349.308 4.149 50 0 EIAAMN COc1ccccc1CN[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222469 563894892 /nfs/dbraw/zinc/89/48/92/563894892.db2.gz NTWGNJQSJZFTTJ-FQEVSTJZSA-N 0 1 347.462 4.107 50 0 EIAAMN CC(C)CC(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027582791 563897166 /nfs/dbraw/zinc/89/71/66/563897166.db2.gz FUHNXFAVYLKWQY-GOSISDBHSA-N 0 1 336.907 4.419 50 0 EIAAMN CCN(CC(=O)Nc1ccccc1Sc1ccccc1)C1CC1 ZINC000029912090 563908908 /nfs/dbraw/zinc/90/89/08/563908908.db2.gz UKYPKIYTVVGTSK-UHFFFAOYSA-N 0 1 326.465 4.261 50 0 EIAAMN COc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000000309807 563917320 /nfs/dbraw/zinc/91/73/20/563917320.db2.gz SQLRNIOERKXGOP-UHFFFAOYSA-N 0 1 339.416 4.163 50 0 EIAAMN CCOC(=O)CCCCCCC(=O)c1cccc(CN2CCCC2)c1 ZINC000043211179 563925384 /nfs/dbraw/zinc/92/53/84/563925384.db2.gz PMCRXLOCZBZYQX-UHFFFAOYSA-N 0 1 345.483 4.369 50 0 EIAAMN O=C(Nc1ccc2ccccc2n1)c1cn[nH]c1-c1ccc(F)cc1 ZINC000058201797 563939664 /nfs/dbraw/zinc/93/96/64/563939664.db2.gz XQBDOMGGLJAKLA-UHFFFAOYSA-N 0 1 332.338 4.016 50 0 EIAAMN Cc1c(NC(=O)C[C@@H](C)c2ccc(F)cc2)[nH]nc1-c1ccncc1 ZINC000058228044 563940357 /nfs/dbraw/zinc/94/03/57/563940357.db2.gz DVYMVHGPUAREMX-GFCCVEGCSA-N 0 1 338.386 4.052 50 0 EIAAMN C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cccc(Cl)c1 ZINC000058345327 563943262 /nfs/dbraw/zinc/94/32/62/563943262.db2.gz VLOQQAOSZMHKHR-BEFAXECRSA-N 0 1 342.870 4.182 50 0 EIAAMN COc1cccc(C[C@@H]2CCCN2Cc2ccn(-c3ccccc3)n2)c1 ZINC000058424068 563945902 /nfs/dbraw/zinc/94/59/02/563945902.db2.gz WDPPDHWKBUEPGW-NRFANRHFSA-N 0 1 347.462 4.088 50 0 EIAAMN COc1cccc(C[C@H]2CCCN2Cc2ccn(-c3ccccc3)n2)c1 ZINC000058424070 563945924 /nfs/dbraw/zinc/94/59/24/563945924.db2.gz WDPPDHWKBUEPGW-OAQYLSRUSA-N 0 1 347.462 4.088 50 0 EIAAMN Cc1cccc(C(C)C)c1NC(=O)CNCc1cnc2ccccc2c1 ZINC000065397195 563959772 /nfs/dbraw/zinc/95/97/72/563959772.db2.gz OHDBMFRHBLFKJC-UHFFFAOYSA-N 0 1 347.462 4.395 50 0 EIAAMN CCc1nc(-c2nccn2[C@@H](CC)c2nc3ccc(C)cc3[nH]2)c(C)[nH]1 ZINC000071388564 563964266 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Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000194955680 564122633 /nfs/dbraw/zinc/12/26/33/564122633.db2.gz RGKVBYGSOFLQSW-WDEREUQCSA-N 0 1 341.377 4.180 50 0 EIAAMN CC(C)(NCc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1 ZINC000079065527 564137772 /nfs/dbraw/zinc/13/77/72/564137772.db2.gz QOHKZFIODVXMMS-UHFFFAOYSA-N 0 1 336.357 4.212 50 0 EIAAMN Cc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1 ZINC000020514383 564140934 /nfs/dbraw/zinc/14/09/34/564140934.db2.gz VDHPRPLPVQRUDM-UHFFFAOYSA-N 0 1 340.414 4.398 50 0 EIAAMN Fc1cccc(CN2CCC(c3nnc(-c4ccsc4)o3)CC2)c1 ZINC000096024376 564144882 /nfs/dbraw/zinc/14/48/82/564144882.db2.gz UIELZDAMONMNNS-UHFFFAOYSA-N 0 1 343.427 4.317 50 0 EIAAMN CS[C@H](C)c1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000096434805 564148008 /nfs/dbraw/zinc/14/80/08/564148008.db2.gz POBGPZZOZZEIKX-CPUCHLNUSA-N 0 1 335.517 4.057 50 0 EIAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000002616453 564151139 /nfs/dbraw/zinc/15/11/39/564151139.db2.gz 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