smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@]1(c2cccc(OC)c2)CC[N@@H+](CC[C@@H](OC(C)=O)c2ccccc2)C1 ZINC000255964371 209221047 /nfs/dbraw/zinc/22/10/47/209221047.db2.gz BGMGGZQRIMZMAO-JWQCQUIFSA-N 1 1 395.543 5.133 10 0 GKAEMO CC[NH+](CC)c1ccc(Nc2nc(-c3cccnc3)nc3sc(C)cc32)cc1 ZINC000072260861 211083002 /nfs/dbraw/zinc/08/30/02/211083002.db2.gz VQHUCGHBFDHHJK-UHFFFAOYSA-N 1 1 389.528 5.652 10 0 GKAEMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874925 210364675 /nfs/dbraw/zinc/36/46/75/210364675.db2.gz ANQIYGHKDYFYEC-UHFFFAOYSA-N 1 1 385.891 5.509 10 0 GKAEMO CSc1ccc(-c2nc(C[N@@H+](CC3CCC3)C[C@@H]3CCCO3)c(C)o2)cc1 ZINC000015074434 221331327 /nfs/dbraw/zinc/33/13/27/221331327.db2.gz YLYOVPZKFYVOMS-IBGZPJMESA-N 1 1 386.561 5.153 10 0 GKAEMO COc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](Cc1ccsc1)C2 ZINC000055327756 222019941 /nfs/dbraw/zinc/01/99/41/222019941.db2.gz QIPCZBNQNSXOMK-UHFFFAOYSA-N 1 1 385.916 5.472 10 0 GKAEMO COc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](Cc1ccsc1)C2 ZINC000055327756 222019946 /nfs/dbraw/zinc/01/99/46/222019946.db2.gz QIPCZBNQNSXOMK-UHFFFAOYSA-N 1 1 385.916 5.472 10 0 GKAEMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1cc(-c2ccccc2)no1 ZINC000013532682 560218830 /nfs/dbraw/zinc/21/88/30/560218830.db2.gz ZGCYMNJHHKQEGA-KPYOPSEVSA-N 1 1 378.903 5.729 10 0 in-vitro GKAEMO CCCCC(CCCC)(NC(=O)c1ccccc1)[C@H]1CC[NH+]=C1c1ccccc1 ZINC000090425990 212150914 /nfs/dbraw/zinc/15/09/14/212150914.db2.gz AIRNYBSMMXOYTO-QHCPKHFHSA-N 1 1 390.571 6.045 10 0 GKAEMO Clc1ccccc1-c1cncnc1[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011788646 204353160 /nfs/dbraw/zinc/35/31/60/204353160.db2.gz KYUODJOBGUGVRY-FQEVSTJZSA-N 1 1 391.946 5.609 10 0 GKAEMO CC(C)(C)[N@@H+](CCC(=O)c1ccc(Br)s1)Cc1ccccc1 ZINC000045354941 205095564 /nfs/dbraw/zinc/09/55/64/205095564.db2.gz FDXSWIGANSTCJG-UHFFFAOYSA-N 1 1 380.351 5.384 10 0 GKAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022935990 207265087 /nfs/dbraw/zinc/26/50/87/207265087.db2.gz JROHDDGXKLVYMO-LJQANCHMSA-N 1 1 393.358 5.146 10 0 GKAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022935990 207265089 /nfs/dbraw/zinc/26/50/89/207265089.db2.gz JROHDDGXKLVYMO-LJQANCHMSA-N 1 1 393.358 5.146 10 0 GKAEMO CC[NH+](CC)c1ccc(Nc2ncnc3sc(C(=O)OC(C)C)c(C)c32)cc1 ZINC000012084666 221148403 /nfs/dbraw/zinc/14/84/03/221148403.db2.gz BIEAEUPTYUZXNH-UHFFFAOYSA-N 1 1 398.532 5.155 10 0 GKAEMO Cc1ccsc1-c1nc(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)c(C)o1 ZINC000012314572 221179179 /nfs/dbraw/zinc/17/91/79/221179179.db2.gz FVRQBPGJIVODHA-LJQANCHMSA-N 1 1 382.529 5.201 10 0 GKAEMO Cc1ccsc1-c1nc(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)c(C)o1 ZINC000012314572 221179183 /nfs/dbraw/zinc/17/91/83/221179183.db2.gz FVRQBPGJIVODHA-LJQANCHMSA-N 1 1 382.529 5.201 10 0 GKAEMO CCc1c(C)sc2c1CC[N@H+](Cc1c(F)cccc1Cl)[C@H]2c1ccccc1 ZINC000015864898 221350062 /nfs/dbraw/zinc/35/00/62/221350062.db2.gz KGTREPVOVZUKSR-QFIPXVFZSA-N 1 1 399.962 6.559 10 0 GKAEMO CCc1c(C)sc2c1CC[N@@H+](Cc1c(F)cccc1Cl)[C@H]2c1ccccc1 ZINC000015864898 221350066 /nfs/dbraw/zinc/35/00/66/221350066.db2.gz KGTREPVOVZUKSR-QFIPXVFZSA-N 1 1 399.962 6.559 10 0 GKAEMO Cc1cc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)ccc1Br ZINC000020875756 570283452 /nfs/dbraw/zinc/28/34/52/570283452.db2.gz SAGOIIBBCGWHQC-UHFFFAOYSA-N 1 1 390.708 5.961 10 0 GKAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022935973 570338255 /nfs/dbraw/zinc/33/82/55/570338255.db2.gz JCEFMYJBVVEKMD-IBGZPJMESA-N 1 1 393.358 5.146 10 0 GKAEMO CC[N@H+]1CCC[C@H]1CNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022935973 570338257 /nfs/dbraw/zinc/33/82/57/570338257.db2.gz JCEFMYJBVVEKMD-IBGZPJMESA-N 1 1 393.358 5.146 10 0 GKAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022935971 570338341 /nfs/dbraw/zinc/33/83/41/570338341.db2.gz JCEFMYJBVVEKMD-LJQANCHMSA-N 1 1 393.358 5.146 10 0 GKAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022935971 570338342 /nfs/dbraw/zinc/33/83/42/570338342.db2.gz JCEFMYJBVVEKMD-LJQANCHMSA-N 1 1 393.358 5.146 10 0 GKAEMO CC[N@@H+]1CCC[C@H]1CNCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000022936373 570338844 /nfs/dbraw/zinc/33/88/44/570338844.db2.gz QHTRGSYHPKQHPC-NRFANRHFSA-N 1 1 392.518 5.132 10 0 GKAEMO CC[N@H+]1CCC[C@H]1CNCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000022936373 570338845 /nfs/dbraw/zinc/33/88/45/570338845.db2.gz QHTRGSYHPKQHPC-NRFANRHFSA-N 1 1 392.518 5.132 10 0 GKAEMO CC[N@@H+]1CCC[C@@H]1CNCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000022936370 570338873 /nfs/dbraw/zinc/33/88/73/570338873.db2.gz QHTRGSYHPKQHPC-OAQYLSRUSA-N 1 1 392.518 5.132 10 0 GKAEMO CC[N@H+]1CCC[C@@H]1CNCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000022936370 570338874 /nfs/dbraw/zinc/33/88/74/570338874.db2.gz QHTRGSYHPKQHPC-OAQYLSRUSA-N 1 1 392.518 5.132 10 0 GKAEMO CCOc1cccc(C[NH2+]Cc2ccccc2Cl)c1OCc1ccccc1F ZINC000013729905 570782725 /nfs/dbraw/zinc/78/27/25/570782725.db2.gz OKDOALBKIUFZPZ-UHFFFAOYSA-N 1 1 399.893 5.747 10 0 GKAEMO CC(C)(C)[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000012474483 570821109 /nfs/dbraw/zinc/82/11/09/570821109.db2.gz GEFLFDPSNQLRGR-QHCPKHFHSA-N 1 1 385.511 5.155 10 0 GKAEMO CC(C)(C)[C@@H]1c2[nH]c3ccccc3c2CC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000012474483 570821112 /nfs/dbraw/zinc/82/11/12/570821112.db2.gz GEFLFDPSNQLRGR-QHCPKHFHSA-N 1 1 385.511 5.155 10 0 GKAEMO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013570234 210069540 /nfs/dbraw/zinc/06/95/40/210069540.db2.gz ZXOCSCSWARQZKJ-UHFFFAOYSA-N 1 1 387.310 5.599 10 0 GKAEMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013570234 210069544 /nfs/dbraw/zinc/06/95/44/210069544.db2.gz ZXOCSCSWARQZKJ-UHFFFAOYSA-N 1 1 387.310 5.599 10 0 GKAEMO C[N@H+]1CCC[C@@H](CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)C1 ZINC000005699394 209230963 /nfs/dbraw/zinc/23/09/63/209230963.db2.gz LNHXILGMJFWSQG-JOCHJYFZSA-N 1 1 398.550 5.194 10 0 GKAEMO CCC[C@]1(c2cccc(OC)c2)CC[N@@H+](CC[C@@H](OC(C)=O)c2ccccc2)C1 ZINC000255964372 212137403 /nfs/dbraw/zinc/13/74/03/212137403.db2.gz BGMGGZQRIMZMAO-RPBOFIJWSA-N 1 1 395.543 5.133 10 0 GKAEMO Cc1ccsc1-c1nc(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)c(C)o1 ZINC000012314573 204396080 /nfs/dbraw/zinc/39/60/80/204396080.db2.gz FVRQBPGJIVODHA-IBGZPJMESA-N 1 1 382.529 5.201 10 0 GKAEMO Cc1ccsc1-c1nc(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)c(C)o1 ZINC000012314573 204396089 /nfs/dbraw/zinc/39/60/89/204396089.db2.gz FVRQBPGJIVODHA-IBGZPJMESA-N 1 1 382.529 5.201 10 0 GKAEMO CCCC[C@@H](CC)C[N@H+](C[C@@H](CC)CCCC)Cn1nnc2cc(C)ccc21 ZINC000038605401 205037298 /nfs/dbraw/zinc/03/72/98/205037298.db2.gz KPYHSKSQWKIIHY-SZPZYZBQSA-N 1 1 386.628 6.432 10 0 GKAEMO COc1cc(-c2nc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)c(C)o2)ccc1F ZINC000014958554 207032280 /nfs/dbraw/zinc/03/22/80/207032280.db2.gz WRFPGOCSFWCYCN-LJQANCHMSA-N 1 1 380.463 5.177 10 0 GKAEMO O=C1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CC[C@@H]2N1CC1CCCCC1 ZINC000014989034 207039048 /nfs/dbraw/zinc/03/90/48/207039048.db2.gz JZXLFXAKHHGLFU-IRLDBZIGSA-N 1 1 396.600 5.295 10 0 GKAEMO Cc1ccsc1C[N@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1ccccn1 ZINC000055211852 222018916 /nfs/dbraw/zinc/01/89/16/222018916.db2.gz IQAMVPHMPRUBAT-UHFFFAOYSA-N 1 1 380.542 5.106 10 0 GKAEMO Cc1ccsc1C[N@@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1ccccn1 ZINC000055211852 222018918 /nfs/dbraw/zinc/01/89/18/222018918.db2.gz IQAMVPHMPRUBAT-UHFFFAOYSA-N 1 1 380.542 5.106 10 0 GKAEMO Cc1ccc(C)c(-n2cc(C[N@@H+](C)[C@H](C)c3ccncn3)c(-c3ccccc3)n2)c1 ZINC000055385441 222019527 /nfs/dbraw/zinc/01/95/27/222019527.db2.gz RIPOLFGJUTUGAO-HXUWFJFHSA-N 1 1 397.526 5.139 10 0 GKAEMO Cc1ccc(C)c(-n2cc(C[N@H+](C)[C@H](C)c3ccncn3)c(-c3ccccc3)n2)c1 ZINC000055385441 222019531 /nfs/dbraw/zinc/01/95/31/222019531.db2.gz RIPOLFGJUTUGAO-HXUWFJFHSA-N 1 1 397.526 5.139 10 0 GKAEMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022936317 570338723 /nfs/dbraw/zinc/33/87/23/570338723.db2.gz RJHSSXPNXBVGRU-LJQANCHMSA-N 1 1 393.358 5.146 10 0 GKAEMO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022936317 570338724 /nfs/dbraw/zinc/33/87/24/570338724.db2.gz RJHSSXPNXBVGRU-LJQANCHMSA-N 1 1 393.358 5.146 10 0 GKAEMO CC[N@@H+]1CCC[C@H]1CNCc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000022936766 570338748 /nfs/dbraw/zinc/33/87/48/570338748.db2.gz ULESRMYHNZKQJF-QHCPKHFHSA-N 1 1 388.555 5.301 10 0 GKAEMO CC[N@H+]1CCC[C@H]1CNCc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000022936766 570338750 /nfs/dbraw/zinc/33/87/50/570338750.db2.gz ULESRMYHNZKQJF-QHCPKHFHSA-N 1 1 388.555 5.301 10 0 GKAEMO CC[N@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022936314 570338769 /nfs/dbraw/zinc/33/87/69/570338769.db2.gz UKEROLVKSWACNU-FQEVSTJZSA-N 1 1 393.358 5.146 10 0 GKAEMO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022936314 570338771 /nfs/dbraw/zinc/33/87/71/570338771.db2.gz UKEROLVKSWACNU-FQEVSTJZSA-N 1 1 393.358 5.146 10 0 GKAEMO COc1cc(-c2ccc(C)cc2)cc2c1OCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000014959368 570344714 /nfs/dbraw/zinc/34/47/14/570344714.db2.gz KDDPGARPGYCPDL-UHFFFAOYSA-N 1 1 377.459 5.204 10 0 GKAEMO COc1cc(-c2ccc(C)cc2)cc2c1OCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000014959368 570344718 /nfs/dbraw/zinc/34/47/18/570344718.db2.gz KDDPGARPGYCPDL-UHFFFAOYSA-N 1 1 377.459 5.204 10 0 GKAEMO CN(C)CCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315422 570568542 /nfs/dbraw/zinc/56/85/42/570568542.db2.gz JMQQXZLYZAJJNW-UHFFFAOYSA-N 1 1 390.358 5.038 10 0 GKAEMO C[NH+](C)CCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315422 570568545 /nfs/dbraw/zinc/56/85/45/570568545.db2.gz JMQQXZLYZAJJNW-UHFFFAOYSA-N 1 1 390.358 5.038 10 0 GKAEMO CSc1ccc(-c2nc(C[N@@H+](CC3CCC3)C[C@H]3CCCO3)c(C)o2)cc1 ZINC000015074435 210151384 /nfs/dbraw/zinc/15/13/84/210151384.db2.gz YLYOVPZKFYVOMS-LJQANCHMSA-N 1 1 386.561 5.153 10 0 GKAEMO CCCCC(CCCC)(NC(=O)c1ccccc1)[C@@H]1CC[NH+]=C1c1ccccc1 ZINC000090425984 212151034 /nfs/dbraw/zinc/15/10/34/212151034.db2.gz AIRNYBSMMXOYTO-HSZRJFAPSA-N 1 1 390.571 6.045 10 0 GKAEMO Clc1ccccc1-c1cncnc1[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011788645 204352934 /nfs/dbraw/zinc/35/29/34/204352934.db2.gz KYUODJOBGUGVRY-HXUWFJFHSA-N 1 1 391.946 5.609 10 0 GKAEMO Brc1ccc(-c2[nH+]c3ccccn3c2NCc2ccccc2)cc1 ZINC000095803927 211282772 /nfs/dbraw/zinc/28/27/72/211282772.db2.gz QBROOVUNAPEDMV-UHFFFAOYSA-N 1 1 378.273 5.376 10 0 GKAEMO CCN(CC)CC[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874248 210364782 /nfs/dbraw/zinc/36/47/82/210364782.db2.gz LIXVLBLZURMGCF-UHFFFAOYSA-N 1 1 376.544 5.159 10 0 GKAEMO COc1ccc(-c2nc(C[NH+]3CCC(Oc4ccc(C)cc4)CC3)c(C)o2)cc1 ZINC000012001906 221142645 /nfs/dbraw/zinc/14/26/45/221142645.db2.gz BFGSDWNEVTUEHA-UHFFFAOYSA-N 1 1 392.499 5.010 10 0 GKAEMO CC[NH+](CC)CCCNCc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000013734652 221285373 /nfs/dbraw/zinc/28/53/73/221285373.db2.gz JARZSUPGTQDABW-UHFFFAOYSA-N 1 1 397.994 5.473 10 0 GKAEMO CC[N@@H+]1CCC[C@H]1CNCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022936377 570338645 /nfs/dbraw/zinc/33/86/45/570338645.db2.gz DXKPAFUONJMSEU-QFIPXVFZSA-N 1 1 392.518 5.132 10 0 GKAEMO CC[N@H+]1CCC[C@H]1CNCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022936377 570338648 /nfs/dbraw/zinc/33/86/48/570338648.db2.gz DXKPAFUONJMSEU-QFIPXVFZSA-N 1 1 392.518 5.132 10 0 GKAEMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022936312 570338777 /nfs/dbraw/zinc/33/87/77/570338777.db2.gz UKEROLVKSWACNU-HXUWFJFHSA-N 1 1 393.358 5.146 10 0 GKAEMO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022936312 570338779 /nfs/dbraw/zinc/33/87/79/570338779.db2.gz UKEROLVKSWACNU-HXUWFJFHSA-N 1 1 393.358 5.146 10 0 GKAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022935992 570338813 /nfs/dbraw/zinc/33/88/13/570338813.db2.gz JROHDDGXKLVYMO-IBGZPJMESA-N 1 1 393.358 5.146 10 0 GKAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022935992 570338814 /nfs/dbraw/zinc/33/88/14/570338814.db2.gz JROHDDGXKLVYMO-IBGZPJMESA-N 1 1 393.358 5.146 10 0 GKAEMO CC[N@@H+]1CCC[C@@H]1CNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022936191 570338835 /nfs/dbraw/zinc/33/88/35/570338835.db2.gz ADCJZJXHTOQAOF-LJQANCHMSA-N 1 1 393.358 5.146 10 0 GKAEMO CC[N@H+]1CCC[C@@H]1CNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022936191 570338837 /nfs/dbraw/zinc/33/88/37/570338837.db2.gz ADCJZJXHTOQAOF-LJQANCHMSA-N 1 1 393.358 5.146 10 0 GKAEMO CC[NH+](CC)CCCNCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013734640 570783806 /nfs/dbraw/zinc/78/38/06/570783806.db2.gz ZRVITXYMJXCTIW-UHFFFAOYSA-N 1 1 383.967 5.165 10 0 GKAEMO CC(C)(C)[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000012474477 570821011 /nfs/dbraw/zinc/82/10/11/570821011.db2.gz GEFLFDPSNQLRGR-HSZRJFAPSA-N 1 1 385.511 5.155 10 0 GKAEMO CC(C)(C)[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000012474477 570821013 /nfs/dbraw/zinc/82/10/13/570821013.db2.gz GEFLFDPSNQLRGR-HSZRJFAPSA-N 1 1 385.511 5.155 10 0 GKAEMO COc1cc(-c2ccc(SC)cc2)cc2c1OCC[N@H+](Cc1cccs1)C2 ZINC000014988126 210141482 /nfs/dbraw/zinc/14/14/82/210141482.db2.gz WTFNFIJZQLOHLM-UHFFFAOYSA-N 1 1 397.565 5.540 10 0 GKAEMO COc1cc(-c2ccc(SC)cc2)cc2c1OCC[N@@H+](Cc1cccs1)C2 ZINC000014988126 210141487 /nfs/dbraw/zinc/14/14/87/210141487.db2.gz WTFNFIJZQLOHLM-UHFFFAOYSA-N 1 1 397.565 5.540 10 0 GKAEMO C[C@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468155 210062877 /nfs/dbraw/zinc/06/28/77/210062877.db2.gz NTQGEZJOMVFLMK-YCXHYSRHSA-N 1 1 375.487 5.468 10 0 GKAEMO Clc1ccc(OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1Cl ZINC000034440783 209245441 /nfs/dbraw/zinc/24/54/41/209245441.db2.gz BIUASSFHSZWTPJ-UHFFFAOYSA-N 1 1 384.306 5.846 10 0 GKAEMO CC[N@H+]1CCC[C@@H]1CNc1cc(-c2ccc3ccccc3c2)nc2ccccc21 ZINC000028640902 212157889 /nfs/dbraw/zinc/15/78/89/212157889.db2.gz BGOYSVBVQPWARB-JOCHJYFZSA-N 1 1 381.523 5.951 10 0 GKAEMO c1ccc(C[N@H+]2CCC[C@@]23CCN(c2cncc(Oc4ccccc4)c2)C3)cc1 ZINC000090751651 212152472 /nfs/dbraw/zinc/15/24/72/212152472.db2.gz NUEVUAOXOPLASE-VWLOTQADSA-N 1 1 385.511 5.119 10 0 GKAEMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(OC)c2OC)cc1 ZINC000036348072 205012964 /nfs/dbraw/zinc/01/29/64/205012964.db2.gz PBURHDSXUFDNQT-DEOSSOPVSA-N 1 1 390.527 5.063 10 0 GKAEMO c1cc2n(c1)CCC[N@@H+](Cc1ccncc1)[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000037522377 205027652 /nfs/dbraw/zinc/02/76/52/205027652.db2.gz CQDUSELPBOLVPK-AREMUKBSSA-N 1 1 395.506 5.671 10 0 GKAEMO c1cc2n(c1)CCC[N@H+](Cc1ccncc1)[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000037522377 205027656 /nfs/dbraw/zinc/02/76/56/205027656.db2.gz CQDUSELPBOLVPK-AREMUKBSSA-N 1 1 395.506 5.671 10 0 GKAEMO C[C@@H](Nc1[nH+]cnc2[nH]c(-c3ccc(O)cc3)cc21)c1cccc2ccccc21 ZINC000073196660 205354939 /nfs/dbraw/zinc/35/49/39/205354939.db2.gz XXNUFRHVPZASID-OAHLLOKOSA-N 1 1 380.451 5.657 10 0 GKAEMO Nc1cccc2c1C[N@@H+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000090558144 206297718 /nfs/dbraw/zinc/29/77/18/206297718.db2.gz VFTFKYNCEVBRLI-UHFFFAOYSA-N 1 1 392.493 5.517 10 0 GKAEMO c1ccc(C[N@H+]2CCC[C@]23CCN(c2cncc(Oc4ccccc4)c2)C3)cc1 ZINC000090751652 206298101 /nfs/dbraw/zinc/29/81/01/206298101.db2.gz NUEVUAOXOPLASE-RUZDIDTESA-N 1 1 385.511 5.119 10 0 GKAEMO O=[S@]1C=CC2=C[N@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000095933072 211284169 /nfs/dbraw/zinc/28/41/69/211284169.db2.gz ABHMCZVAOHKTRD-VAVYLYDRSA-N 1 1 397.543 5.213 10 0 GKAEMO COc1cccc(-c2nc(C[N@@H+](C)[C@@H]3CCCc4ccccc43)c(C)o2)c1OC ZINC000012204424 206869249 /nfs/dbraw/zinc/86/92/49/206869249.db2.gz OFVXYTLFGPPTLM-OAQYLSRUSA-N 1 1 392.499 5.177 10 0 GKAEMO CC[N@@H+]1CCC[C@@H]1CNCc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000022936764 207265412 /nfs/dbraw/zinc/26/54/12/207265412.db2.gz ULESRMYHNZKQJF-HSZRJFAPSA-N 1 1 388.555 5.301 10 0 GKAEMO CC[N@H+]1CCC[C@@H]1CNCc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000022936764 207265416 /nfs/dbraw/zinc/26/54/16/207265416.db2.gz ULESRMYHNZKQJF-HSZRJFAPSA-N 1 1 388.555 5.301 10 0 GKAEMO CC[N@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022936320 207265682 /nfs/dbraw/zinc/26/56/82/207265682.db2.gz RJHSSXPNXBVGRU-IBGZPJMESA-N 1 1 393.358 5.146 10 0 GKAEMO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022936320 207265683 /nfs/dbraw/zinc/26/56/83/207265683.db2.gz RJHSSXPNXBVGRU-IBGZPJMESA-N 1 1 393.358 5.146 10 0 GKAEMO Cc1c([C@@H](C)[NH2+]Cc2cc(CC(C)C)n[nH]2)cnn1-c1cccc2ccccc21 ZINC000012299818 221175579 /nfs/dbraw/zinc/17/55/79/221175579.db2.gz ALTSLYNQVBVIFO-QGZVFWFLSA-N 1 1 387.531 5.106 10 0 GKAEMO c1coc(C[N@H+](Cc2ccsc2)Cc2ccc(Oc3ncccn3)cc2)c1 ZINC000055384558 222020637 /nfs/dbraw/zinc/02/06/37/222020637.db2.gz ZJNKEIPQBBHYTH-UHFFFAOYSA-N 1 1 377.469 5.126 10 0 GKAEMO c1coc(C[N@@H+](Cc2ccsc2)Cc2ccc(Oc3ncccn3)cc2)c1 ZINC000055384558 222020640 /nfs/dbraw/zinc/02/06/40/222020640.db2.gz ZJNKEIPQBBHYTH-UHFFFAOYSA-N 1 1 377.469 5.126 10 0 GKAEMO Cc1ccc(Cc2nc(C[N@@H+](C)[C@@H](C)c3cccc4ccccc43)cs2)cc1 ZINC000023432471 570323743 /nfs/dbraw/zinc/32/37/43/570323743.db2.gz JGOOZZRJBDKMJQ-IBGZPJMESA-N 1 1 386.564 6.389 10 0 GKAEMO Cc1ccc(Cc2nc(C[N@H+](C)[C@@H](C)c3cccc4ccccc43)cs2)cc1 ZINC000023432471 570323744 /nfs/dbraw/zinc/32/37/44/570323744.db2.gz JGOOZZRJBDKMJQ-IBGZPJMESA-N 1 1 386.564 6.389 10 0 GKAEMO CC[N@@H+]1CCC[C@H]1CNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022936194 570338806 /nfs/dbraw/zinc/33/88/06/570338806.db2.gz ADCJZJXHTOQAOF-IBGZPJMESA-N 1 1 393.358 5.146 10 0 GKAEMO CC[N@H+]1CCC[C@H]1CNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022936194 570338807 /nfs/dbraw/zinc/33/88/07/570338807.db2.gz ADCJZJXHTOQAOF-IBGZPJMESA-N 1 1 393.358 5.146 10 0 GKAEMO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+](C)Cc1ccnc2ccccc12 ZINC000055324988 570691178 /nfs/dbraw/zinc/69/11/78/570691178.db2.gz AJTZLFIOEVBIFU-UHFFFAOYSA-N 1 1 393.490 5.983 10 0 GKAEMO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+](C)Cc1ccnc2ccccc12 ZINC000055324988 570691183 /nfs/dbraw/zinc/69/11/83/570691183.db2.gz AJTZLFIOEVBIFU-UHFFFAOYSA-N 1 1 393.490 5.983 10 0 GKAEMO C[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468148 570755297 /nfs/dbraw/zinc/75/52/97/570755297.db2.gz NTQGEZJOMVFLMK-UWCPCEDSSA-N 1 1 375.487 5.468 10 0 GKAEMO COc1ccccc1C[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000013720287 570780161 /nfs/dbraw/zinc/78/01/61/570780161.db2.gz KOUITJACEINMJM-UHFFFAOYSA-N 1 1 397.902 5.226 10 0 GKAEMO CO[C@@H](C[N@@H+](Cc1ccccc1)C(C)(C)C)c1ccc2c(c1)COC(C)(C)O2 ZINC000504466286 231320550 /nfs/dbraw/zinc/32/05/50/231320550.db2.gz CSUJXNKPXMEJCM-QFIPXVFZSA-N 1 1 383.532 5.320 10 0 GKAEMO COc1cc(-c2nc(C[N@H+]3CCC[C@H](c4ccccc4)C3)c(C)o2)ccc1F ZINC000014958558 210133506 /nfs/dbraw/zinc/13/35/06/210133506.db2.gz WRFPGOCSFWCYCN-IBGZPJMESA-N 1 1 380.463 5.177 10 0 GKAEMO COc1cccc(-c2nc(C[N@@H+](C)[C@H]3CCCc4ccccc43)c(C)o2)c1OC ZINC000012204429 204382732 /nfs/dbraw/zinc/38/27/32/204382732.db2.gz OFVXYTLFGPPTLM-NRFANRHFSA-N 1 1 392.499 5.177 10 0 GKAEMO COc1ccccc1C[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000013720290 204507608 /nfs/dbraw/zinc/50/76/08/204507608.db2.gz ALSCRKZQCKLNGG-UHFFFAOYSA-N 1 1 397.902 5.226 10 0 GKAEMO Cc1ccc(C)c(-n2cc(C[N@@H+](C)[C@@H](C)c3ccncn3)c(-c3ccccc3)n2)c1 ZINC000055385436 205147056 /nfs/dbraw/zinc/14/70/56/205147056.db2.gz RIPOLFGJUTUGAO-FQEVSTJZSA-N 1 1 397.526 5.139 10 0 GKAEMO Cc1ccc(C)c(-n2cc(C[N@H+](C)[C@@H](C)c3ccncn3)c(-c3ccccc3)n2)c1 ZINC000055385436 205147060 /nfs/dbraw/zinc/14/70/60/205147060.db2.gz RIPOLFGJUTUGAO-FQEVSTJZSA-N 1 1 397.526 5.139 10 0 GKAEMO C[C@H](Nc1[nH+]cnc2[nH]c(-c3ccc(O)cc3)cc21)c1cccc2ccccc21 ZINC000073196659 205355991 /nfs/dbraw/zinc/35/59/91/205355991.db2.gz XXNUFRHVPZASID-HNNXBMFYSA-N 1 1 380.451 5.657 10 0 GKAEMO COc1cccc(C[N@@H+]2CCOc3c(cc(-c4ccc(C)s4)cc3OC)C2)c1 ZINC000014882832 207030983 /nfs/dbraw/zinc/03/09/83/207030983.db2.gz AVNUERVYCFZUBO-UHFFFAOYSA-N 1 1 395.524 5.135 10 0 GKAEMO COc1cccc(C[N@H+]2CCOc3c(cc(-c4ccc(C)s4)cc3OC)C2)c1 ZINC000014882832 207030986 /nfs/dbraw/zinc/03/09/86/207030986.db2.gz AVNUERVYCFZUBO-UHFFFAOYSA-N 1 1 395.524 5.135 10 0 GKAEMO Cc1ccc(-c2cncnc2[C@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3F)C2)cc1 ZINC000020326310 210328944 /nfs/dbraw/zinc/32/89/44/210328944.db2.gz ZHRWVWSEADTYIY-KRWDZBQOSA-N 1 1 397.444 5.249 10 0 GKAEMO Cc1ccc(-c2cncnc2[C@H]2CCC[N@H+](Cc3c(F)ccc(F)c3F)C2)cc1 ZINC000020326310 210328941 /nfs/dbraw/zinc/32/89/41/210328941.db2.gz ZHRWVWSEADTYIY-KRWDZBQOSA-N 1 1 397.444 5.249 10 0 GKAEMO [NH3+][C@H](c1cc2cc(Br)ccc2o1)c1ccc(Br)cc1 ZINC000020389768 210331127 /nfs/dbraw/zinc/33/11/27/210331127.db2.gz SIKMOIPSDMOWRU-HNNXBMFYSA-N 1 1 381.067 5.006 10 0 GKAEMO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccc5cnccc54)C3)C2)c1 ZINC000011814804 221125661 /nfs/dbraw/zinc/12/56/61/221125661.db2.gz UETGAAZIQSJFOB-AREMUKBSSA-N 1 1 385.555 5.031 10 0 GKAEMO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cccc5cnccc54)C3)C2)c1 ZINC000011814804 221125664 /nfs/dbraw/zinc/12/56/64/221125664.db2.gz UETGAAZIQSJFOB-AREMUKBSSA-N 1 1 385.555 5.031 10 0 GKAEMO Cc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccc5cnccc54)C3)C2)c1 ZINC000011814802 221125827 /nfs/dbraw/zinc/12/58/27/221125827.db2.gz UETGAAZIQSJFOB-SANMLTNESA-N 1 1 385.555 5.031 10 0 GKAEMO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4cccc5cnccc54)C3)C2)c1 ZINC000011814802 221125829 /nfs/dbraw/zinc/12/58/29/221125829.db2.gz UETGAAZIQSJFOB-SANMLTNESA-N 1 1 385.555 5.031 10 0 GKAEMO COc1ccccc1C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000013720750 221283941 /nfs/dbraw/zinc/28/39/41/221283941.db2.gz HSOOARCHTQIHSM-UHFFFAOYSA-N 1 1 381.903 5.526 10 0 GKAEMO COc1ccccc1C[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000013720756 221284811 /nfs/dbraw/zinc/28/48/11/221284811.db2.gz HJXQMNVAAMXLSZ-UHFFFAOYSA-N 1 1 386.289 5.316 10 0 GKAEMO Fc1ccc(Br)c(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000038039158 221876865 /nfs/dbraw/zinc/87/68/65/221876865.db2.gz PKHSTNPYIKPUPI-HNNXBMFYSA-N 1 1 386.717 5.568 10 0 GKAEMO Cc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2ccccc2Cl)o1 ZINC000020875895 570283487 /nfs/dbraw/zinc/28/34/87/570283487.db2.gz SIFIYWFGYCMCRS-UHFFFAOYSA-N 1 1 390.708 5.961 10 0 GKAEMO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000022936860 570338713 /nfs/dbraw/zinc/33/87/13/570338713.db2.gz WYRAOBRVCKMWBC-SFHVURJKSA-N 1 1 393.358 5.146 10 0 GKAEMO CC[N@H+]1CCC[C@H]1CNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000022936860 570338714 /nfs/dbraw/zinc/33/87/14/570338714.db2.gz WYRAOBRVCKMWBC-SFHVURJKSA-N 1 1 393.358 5.146 10 0 GKAEMO C[NH2+]CCCNCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000010315402 570568302 /nfs/dbraw/zinc/56/83/02/570568302.db2.gz AQXUXZJJRREZFD-UHFFFAOYSA-N 1 1 390.358 5.004 10 0 GKAEMO COc1ccccc1C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013720482 570779938 /nfs/dbraw/zinc/77/99/38/570779938.db2.gz WOLWJSVKCUCJJU-UHFFFAOYSA-N 1 1 385.866 5.357 10 0 GKAEMO CCOc1cccc(C[NH2+]Cc2ccccn2)c1OCc1ccccc1Cl ZINC000013729853 570782647 /nfs/dbraw/zinc/78/26/47/570782647.db2.gz FMSLKPXHRSRFBB-UHFFFAOYSA-N 1 1 382.891 5.003 10 0 GKAEMO CCOc1cccc(C[NH2+]Cc2ccccn2)c1OCc1ccc(Cl)cc1 ZINC000013730273 570782827 /nfs/dbraw/zinc/78/28/27/570782827.db2.gz LYIIUPFSTISKOB-UHFFFAOYSA-N 1 1 382.891 5.003 10 0 GKAEMO CO[C@H](C[N@@H+](Cc1ccccc1)C(C)(C)C)c1ccc2c(c1)COC(C)(C)O2 ZINC000504466285 231321347 /nfs/dbraw/zinc/32/13/47/231321347.db2.gz CSUJXNKPXMEJCM-JOCHJYFZSA-N 1 1 383.532 5.320 10 0 GKAEMO C[C@H](Cc1ccccc1)[NH+](Cc1ccccc1Cl)Cc1ccccc1Cl ZINC000504745654 231345243 /nfs/dbraw/zinc/34/52/43/231345243.db2.gz NQTNOCWPOGEUHI-GOSISDBHSA-N 1 1 384.350 6.627 10 0 GKAEMO CCc1c(C)sc2c1CC[N@H+](Cc1c(F)cccc1Cl)[C@@H]2c1ccccc1 ZINC000015864897 210176682 /nfs/dbraw/zinc/17/66/82/210176682.db2.gz KGTREPVOVZUKSR-JOCHJYFZSA-N 1 1 399.962 6.559 10 0 GKAEMO CCc1c(C)sc2c1CC[N@@H+](Cc1c(F)cccc1Cl)[C@@H]2c1ccccc1 ZINC000015864897 210176685 /nfs/dbraw/zinc/17/66/85/210176685.db2.gz KGTREPVOVZUKSR-JOCHJYFZSA-N 1 1 399.962 6.559 10 0 GKAEMO Cc1ccc(-c2cc([C@@H]3[C@@H]4CC[C@H](C[C@@H]3c3ccc(Cl)cc3)[N@@H+]4C)on2)cc1 ZINC000001491112 212247634 /nfs/dbraw/zinc/24/76/34/212247634.db2.gz AUXUFNHAVGIVDC-WOOVXOMTSA-N 1 1 392.930 6.037 10 0 in-vitro GKAEMO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000022936856 204794553 /nfs/dbraw/zinc/79/45/53/204794553.db2.gz WYRAOBRVCKMWBC-GOSISDBHSA-N 1 1 393.358 5.146 10 0 GKAEMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000022936856 204794557 /nfs/dbraw/zinc/79/45/57/204794557.db2.gz WYRAOBRVCKMWBC-GOSISDBHSA-N 1 1 393.358 5.146 10 0 GKAEMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(OC)c2OC)cc1 ZINC000036348071 205013047 /nfs/dbraw/zinc/01/30/47/205013047.db2.gz PBURHDSXUFDNQT-XMMPIXPASA-N 1 1 390.527 5.063 10 0 GKAEMO Cc1c([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)cs2)cnn1-c1cccc(F)c1 ZINC000012056025 206852438 /nfs/dbraw/zinc/85/24/38/206852438.db2.gz SLVVDBOAQVOGDD-OAHLLOKOSA-N 1 1 392.503 5.294 10 0 GKAEMO CC[N@@H+]1CCC[C@@H]1CNCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022936375 207265229 /nfs/dbraw/zinc/26/52/29/207265229.db2.gz DXKPAFUONJMSEU-JOCHJYFZSA-N 1 1 392.518 5.132 10 0 GKAEMO CC[N@H+]1CCC[C@@H]1CNCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022936375 207265233 /nfs/dbraw/zinc/26/52/33/207265233.db2.gz DXKPAFUONJMSEU-JOCHJYFZSA-N 1 1 392.518 5.132 10 0 GKAEMO Cc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccco2)cc1 ZINC000020874658 210365510 /nfs/dbraw/zinc/36/55/10/210365510.db2.gz IZKCNRBJLLKGJR-UHFFFAOYSA-N 1 1 386.289 5.219 10 0 GKAEMO Cc1c([C@H](C)[NH2+]Cc2cc(CC(C)C)n[nH]2)cnn1-c1cccc2ccccc21 ZINC000012299817 221176283 /nfs/dbraw/zinc/17/62/83/221176283.db2.gz ALTSLYNQVBVIFO-KRWDZBQOSA-N 1 1 387.531 5.106 10 0 GKAEMO CCOC(=O)c1sc2nc(C)nc(Nc3ccc([NH+](CC)CC)cc3)c2c1C ZINC000072260933 222219097 /nfs/dbraw/zinc/21/90/97/222219097.db2.gz GPEMBWKHVFIXHA-UHFFFAOYSA-N 1 1 398.532 5.075 10 0 GKAEMO COc1cccc(C[NH2+]Cc2ccccc2Cl)c1OCc1ccc(C)cc1 ZINC000020873936 570283112 /nfs/dbraw/zinc/28/31/12/570283112.db2.gz AEFLKIDAXVMZGU-UHFFFAOYSA-N 1 1 381.903 5.526 10 0 GKAEMO COc1ccccc1C[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000013720759 570779878 /nfs/dbraw/zinc/77/98/78/570779878.db2.gz MQLSXOKLTFWRND-UHFFFAOYSA-N 1 1 386.289 5.316 10 0 GKAEMO COc1ccccc1C[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000013720816 570780102 /nfs/dbraw/zinc/78/01/02/570780102.db2.gz MOVBNUVIFNDXKQ-UHFFFAOYSA-N 1 1 397.902 5.226 10 0 GKAEMO CCOc1cccc(C[NH2+]Cc2ccccc2OC)c1OCc1ccccc1F ZINC000013720851 210084224 /nfs/dbraw/zinc/08/42/24/210084224.db2.gz NQKXZUBBSSNIKV-UHFFFAOYSA-N 1 1 395.474 5.102 10 0 GKAEMO CC[N@H+]1CCC[C@H]1CNc1cc(-c2ccc3ccccc3c2)nc2ccccc21 ZINC000028640903 212158714 /nfs/dbraw/zinc/15/87/14/212158714.db2.gz BGOYSVBVQPWARB-QFIPXVFZSA-N 1 1 381.523 5.951 10 0 GKAEMO Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)n1 ZINC000012135918 204373746 /nfs/dbraw/zinc/37/37/46/204373746.db2.gz QUDOFIPEDCLSHP-XPUAEESYSA-N 1 1 387.502 5.484 10 0 GKAEMO OC[C@@]1(CCc2ccccc2)CCC[N@@H+](Cc2ccc3cc(Cl)ccc3n2)C1 ZINC000012308120 204393725 /nfs/dbraw/zinc/39/37/25/204393725.db2.gz VMRSRYPFHSDYDM-XMMPIXPASA-N 1 1 394.946 5.096 10 0 GKAEMO CC(C)CC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037587909 205029713 /nfs/dbraw/zinc/02/97/13/205029713.db2.gz PLTGVRWUTGKRTR-UHFFFAOYSA-N 1 1 386.486 5.009 10 0 GKAEMO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccccc2Cl)cc1 ZINC000020875100 207217920 /nfs/dbraw/zinc/21/79/20/207217920.db2.gz BJEJXWDZYBYBKH-UHFFFAOYSA-N 1 1 386.322 6.171 10 0 GKAEMO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](C1Cc3ccccc3C1)C2 ZINC000023129078 207270526 /nfs/dbraw/zinc/27/05/26/207270526.db2.gz INTZTNXMTCXSRM-UHFFFAOYSA-N 1 1 391.898 5.074 10 0 GKAEMO Cc1cccc(-n2cc(C[N@@H+](C)Cc3ccccn3)c(-c3cccc(F)c3)n2)c1 ZINC000015069431 221329594 /nfs/dbraw/zinc/32/95/94/221329594.db2.gz HTMAOSMAQURJPS-UHFFFAOYSA-N 1 1 386.474 5.014 10 0 GKAEMO Cc1cccc(-n2cc(C[N@H+](C)Cc3ccccn3)c(-c3cccc(F)c3)n2)c1 ZINC000015069431 221329596 /nfs/dbraw/zinc/32/95/96/221329596.db2.gz HTMAOSMAQURJPS-UHFFFAOYSA-N 1 1 386.474 5.014 10 0 GKAEMO c1cc2c(s1)C[N@@H+](C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2 ZINC000095093217 222330687 /nfs/dbraw/zinc/33/06/87/222330687.db2.gz CEJDAUDGCKNHSX-UHFFFAOYSA-N 1 1 381.544 6.098 10 0 GKAEMO CCCOc1c(C[NH2+]Cc2ccccc2Cl)cc(Br)cc1OC ZINC000020934126 570285342 /nfs/dbraw/zinc/28/53/42/570285342.db2.gz NHERGNMLBJXYCX-UHFFFAOYSA-N 1 1 398.728 5.190 10 0 GKAEMO COc1ccccc1C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000013720486 570779957 /nfs/dbraw/zinc/77/99/57/570779957.db2.gz LLUPMXFZXMQQQK-UHFFFAOYSA-N 1 1 385.866 5.357 10 0 GKAEMO CCn1cc(C[N@@H+](Cc2ccncc2)Cc2ccc(OC)cc2)c2ccccc21 ZINC000013570256 210069362 /nfs/dbraw/zinc/06/93/62/210069362.db2.gz BLINCYAIQLECKT-UHFFFAOYSA-N 1 1 385.511 5.267 10 0 GKAEMO