Added 215 molecules from epoch 16032 for O55192
Browse files- O55192_molecules.csv +215 -0
O55192_molecules.csv
CHANGED
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@@ -28988,3 +28988,218 @@ FBF7F80A5FC1F740_A502521394E5E5D4_6038_UN,S(CC2COC1=C(C=CC=C1)O2)C(=O)CCCC3=C[NH
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| 28988 |
FC9B5592C130E664_9BFFC4315C62F006_6029_UN,CC1=CC=C(C=C1)OCCN[S](C2=CC=CC(=C2F)N=[N]#N)(=O)=O,JHCIUMBOIXHBFM-UHFFFAOYSA-N
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| 28989 |
FDBB964E7D020019_F888E92194894786_6029_UN,N(C1=CC(=C(C=C1)F)O)[S](C2=C(C=CC(=C2O)[N](=O)=O)F)(=O)=O,SMAJYOPWGYVFIW-UHFFFAOYSA-N
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| 28990 |
FE54B70681E05F69_AAFFD3DB3D68AA86_6041_UN,C1(=C[NH]C2=C1C=CC=N2)NC4=C[N]3N=C(C)N=C3C=C4,BAEMHNQMFZIMHY-UHFFFAOYSA-N
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| 28988 |
FC9B5592C130E664_9BFFC4315C62F006_6029_UN,CC1=CC=C(C=C1)OCCN[S](C2=CC=CC(=C2F)N=[N]#N)(=O)=O,JHCIUMBOIXHBFM-UHFFFAOYSA-N
|
| 28989 |
FDBB964E7D020019_F888E92194894786_6029_UN,N(C1=CC(=C(C=C1)F)O)[S](C2=C(C=CC(=C2O)[N](=O)=O)F)(=O)=O,SMAJYOPWGYVFIW-UHFFFAOYSA-N
|
| 28990 |
FE54B70681E05F69_AAFFD3DB3D68AA86_6041_UN,C1(=C[NH]C2=C1C=CC=N2)NC4=C[N]3N=C(C)N=C3C=C4,BAEMHNQMFZIMHY-UHFFFAOYSA-N
|
| 28991 |
+
00E97662CA22F426_D6232737F89086DC_6038_UN,CCC(NC(=O)C1=NC=C(C(=C1)Cl)Br)C2COCCO2,DZCQNRORRXQIGF-UHFFFAOYSA-N
|
| 28992 |
+
00F886EFAD4D3A4C_D25FE1DF96BC93A6_6041_UN,O=[N](=O)C1=C(C=CN=C1NC(C2=N[N](C=C2OC)C)C)C#N,JACZIYQXKSACNN-UHFFFAOYSA-N
|
| 28993 |
+
0145630DE7C04B4A_E9A7C878031F6222_6034_UN,ClC1=CC(=O)N(C2=C1C=CC=N2)CC(C)CC3CCOCC3,BWGYHCSKRXTWTP-UHFFFAOYSA-N
|
| 28994 |
+
025EDD1A8A7D84DC_D1311AD7ACE28482_6041_DP,C1(=CC=C(C=C1)CN2CCCC2)NCC3(CNC3)COCC[Si](C)(C)C,KFVHGTKQOGTPJT-UHFFFAOYSA-N
|
| 28995 |
+
029DCDD62F6D405C_E43BD6F338C278F5_6026_UN,CC1=C(C=C(C=C1)N=[N]#N)[S](=O)(=O)NC2=C(C=C(C)C=C2)[S](=O)(=O)O,DUJBLYCBZNZCMR-UHFFFAOYSA-N
|
| 28996 |
+
02A43257BE7110D2_1830EBB081164508_6043_UN,OC(=O)C1=C(C=CN=C1F)N[S](=O)(=O)C2(CCC2)C#C,AYHXQAUWWSLNMO-UHFFFAOYSA-N
|
| 28997 |
+
045B9EF4391EC062_AECD176D5CFEA4EC_6026_UN,CC1=C(C(=C(C=C1)[N](=O)=O)C)[S](=O)(=O)N=C(OCC)C2=CC=CS2,FPVOZJPWOIEJNY-UHFFFAOYSA-N
|
| 28998 |
+
05D4D51FC5A855B4_E7FBD2323188023E_6038_UN,COCC1=C(C=CC(=C1)CNC(CC2C(N=C(N)S2)=O)=O)F,WGFPJCQNVUDEHC-UHFFFAOYSA-N
|
| 28999 |
+
05EDC98046997151_FC60E3740C228323_6041_UN,C1(=C[NH]C(=C1)C(=O)N2CCCC2)NCC(CC3=CC(=CC=C3)F)C(=O)O,ZHZCBHZDJFMJIL-UHFFFAOYSA-N
|
| 29000 |
+
060BF931BEAE9C7B_C02224AF9AF45CBB_6038_UN,CCOC2CC(OC(C1=CC(=C(B(O)O)C=C1)F)=O)C23CCCC3,JIJZCIWGORBRBK-UHFFFAOYSA-N
|
| 29001 |
+
0A290FB98AC8FE7A_23EC3EFF37AE1429_6041_DP,N1CCCC2=C1C=C(C(=C2)NC3=C(O)C=C(C=C3)F)F,OKETYLUVKQUQPK-UHFFFAOYSA-N
|
| 29002 |
+
0A2A754E1310396F_56CEAD8F32F86F75_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCCSCC2=CSC=C2,MWCBZMKGLCMKMV-UHFFFAOYSA-N
|
| 29003 |
+
0A6708B3977037CD_5CC15D2AB533BA26_6039_DP,NC1=CC(=CC=C1)OC[C@@H]2C[C@](OC)(CN2)C(F)(F)F,LPHHUGDBHHFIEQ-JQWIXIFHSA-N
|
| 29004 |
+
0B67BC718BC40317_2B7A12222DF0810C_6038_UN,CC3(C)CC(OC(=O)C1=CC=C(C=C1)N2CCN[S]2(=O)=O)CO3,XUZDLGLNIQOOBK-UHFFFAOYSA-N
|
| 29005 |
+
0C52C609B4AE6B81_F6CB8FE721B03D76_6035_UN,OB(O)C1=CC=C(C=C1)C4(OC2=CC=CC3=C2CCC(C)(C)O3)CCC4,RULJMEGIFRYFCU-UHFFFAOYSA-N
|
| 29006 |
+
0DB34DA9844D1528_9054FB348678AD57_6038_UN,CN(C)CC2(CSC(C1=C(N(C)C)C=CN=C1)=O)CC2,KFNMMRWFSBNLDX-UHFFFAOYSA-N
|
| 29007 |
+
0E3731A0B9202019_A6EFBC57FBE79A29_6041_UN,FC1=CC=C(C=C1)CC2=NC4=C(C(=N2)NC3C[C@@H](OC)[C@H](C3)OC)C(=CS4)C5=CC=C(C=C5)F,NLEVWRDWVDMFJP-XDNSSPFJSA-N
|
| 29008 |
+
0EE13DDAF22847A7_D37F0C3996F0EA65_6038_UN,OB(O)C1=CC2=C(C=C1)C=CC(=C2)OC(=O)C3=C(C=CC=C3F)C4CC4,PTHYYROVLXVFSY-UHFFFAOYSA-N
|
| 29009 |
+
1074160363A3A0E2_BCB44E76630E3C86_6041_UN,CC(C)(C#N)C1=C(C=CC(=C1)NCC[N]2N=NC(=C2)C3CC3)F,PVVRHXDVCVHMDI-UHFFFAOYSA-N
|
| 29010 |
+
11E6E9983718DB16_5B3203B3CCEA1BDB_6041_DP,CN1C(=NNC1=S)C2=CC(=CC=C2)N[C@@H]3[C@H](C)CNC3,GOLMCRZZLIESOB-SKDRFNHKSA-N
|
| 29011 |
+
130397F1F84D7233_EC73135A00684EB2_6031_UN,O(C(=O)C1CC(NC1)C(F)(F)F)CC3C[C@H]2CC(OC)([C@H]2C3)OC,HTUCVIFSLSKNJC-CKFFRSNESA-N
|
| 29012 |
+
1394BCB58FDC9183_99F1CFB1B9DF1D3F_6041_UN,C1(=CC=C(C=C1)CSC2=N[NH]C=N2)NC3CC[Si](C)(CC3)C,PCAQTGNMIWRSJR-UHFFFAOYSA-N
|
| 29013 |
+
185DFE32CA419399_88E67548503C20E2_6041_UN,FC1=CC=C(C=C1)CC2=NN=C(S2)NCC3=CC=C(C(OC)OC)C=C3,BADTZMDZWGZNLO-UHFFFAOYSA-N
|
| 29014 |
+
18F9E7336E4C35A3_218B3129760E5BAD_6041_UN,OC(=O)CCC1=CC=C(S1)NCC2=C([S](N(C)C)(=O)=O)C=CC=C2F,LUTJHVXDIWFYNI-UHFFFAOYSA-N
|
| 29015 |
+
195BF8942F8FA911_4D377A6F5572ED6E_6038_UN,CC(CNC(C1C[C@@H](OC)[C@H](C1)OC)=O)C2=NC(=CS2)C,PUCBTDQZSUNRQA-VXQVPQEFSA-N
|
| 29016 |
+
197958510302AD56_DBCB202B63C4063A_6041_UN,C1(=NC(=NO1)C2CCC2)NC(C)(C)C3=N[NH]C(=N3)C4=CC=CS4,VKMPXBWYWYBQEV-UHFFFAOYSA-N
|
| 29017 |
+
19E308AC704EBDFB_49FAFFC29DC01397_6041_UN,FC1=C(C(=CC=C1)NC[C@@H]2OCCN(CC)[C@H]2C3=C[N](N=C3)C)C4CC4,BVLCZIAPUYIXQE-ICSRJNTNSA-N
|
| 29018 |
+
1B956A53C57E7DC3_A9BB578E9E55BE91_6038_UN,COC(=O)C(NC(=O)C1=CC=N[N]1CC2CCC2)C[N]3N=CC=C3,GEHKMORWYMVLHB-UHFFFAOYSA-N
|
| 29019 |
+
1D643F85FE29789F_2CCD989427ACD23D_6039_UN,C[C@@H](COCC(OC)C1CC1)N(C)C2=C(C=CC=N2)F,CVLKXSVLAIITKZ-ZSOXZCCMSA-N
|
| 29020 |
+
1E0025F6B51719D1_B950BF436B97B227_6026_UN,CC1=C(C(=C(C=C1)[N](=O)=O)C)[S](=O)(=O)NC2=C(C)N=C(C=C2)Br,RJYYBWUHZLDDEG-UHFFFAOYSA-N
|
| 29021 |
+
1E2B4BC98AD80971_C78D39643FC99433_6039_UN,CN(C)[C@@H]2CCC[C@H](OCCN1CC(C)CC(C1)C)C2,NOAMNQUJFJDDTE-BACDZXNISA-N
|
| 29022 |
+
1E2B88FF06A46E27_BFA016D6670F3886_6043_UN,OC(=O)C1=CC(=C(N=C1)Cl)N[S](=O)(=O)C2(CCC2)C#C,NNRZCACBQHLSGV-UHFFFAOYSA-N
|
| 29023 |
+
1F6B5A2B8791B4AE_0D86C5F0EF620ECE_6035_UN,COC(COC1=C(CC)C=C(C(=C1)Cl)Cl)C2CCCCC2,QFZHANIITCPUMF-UHFFFAOYSA-N
|
| 29024 |
+
1FB7CCEE5045C07F_CA06BFCB0905EADF_6041_UN,CC1=CC(=C(S1)[Si](C)(C)C)N[C@@H]2C3=C(OCC2)C(=CC=C3)F,WXMDDSSFTNILFN-AWEZNQCLSA-N
|
| 29025 |
+
21D967A37FA443C4_ADFBF0F06E04F485_6041_UN,COC(=O)C1=C(C(=CC=N1)NC(C2=N[N](C=C2OC)C)C)F,FKICUDOAYRYEKO-UHFFFAOYSA-N
|
| 29026 |
+
2494A51C4DF2366B_F1BD7DA17C3A7E7B_6035_UN,COCC3(COC1=C(C(=CC(=C1)F)Br)F)CC2OC2C3,OCSWFCIMGXSFCZ-UHFFFAOYSA-N
|
| 29027 |
+
24F1CB188AAA3744_D85A0FD31FCCA9A4_6041_UN,COC1=CC=C(C=C1)C4=CC2=C(C(=NC=N2)NC(CC)CN3CCOCC3)S4,ARKAOUDCVLDAOO-UHFFFAOYSA-N
|
| 29028 |
+
26614ADC0A94866D_C224E7B439E98D9B_6039_DP,N2C[C@@H](COCC1=CC(=C(N(C)C)C=C1)C)[C@@H](C2)C(F)(F)F,QQVUPHMQYZFDKH-UONOGXRCSA-N
|
| 29029 |
+
2731B7B0D584A237_2BDE44DE98B3AF73_6041_UN,FC2=C(C(=C1N=CC(=C(C1=C2)NC(COC)C3=C[N](N=C3)C)C#N)F)F,KSYGMEABCYKTHL-UHFFFAOYSA-N
|
| 29030 |
+
27432C3B8F021817_8F9823B0311C766C_6041_DP,CN1C(=NNC1=S)C2=CC(=CC=C2)NC3CCOC34CCNCC4,FUKYBMRQTIMLGF-UHFFFAOYSA-N
|
| 29031 |
+
27CF515BFA1AB88E_1771AE3A97E35490_6038_UN,N(CC1=C[N](N=C1)CCF)C(C2=CC3=C([N]2CC(N(C)C)=O)C=CC=C3)=O,AIHQSSMVIZLTSX-UHFFFAOYSA-N
|
| 29032 |
+
290A3E5B341277DD_189BA9251F625813_6031_UN,O(C(=O)C1=C(C(NC(=C1)C2CC2)=S)C#N)CC3NCC=CC3,GKTGQJJTKZEVRJ-UHFFFAOYSA-N
|
| 29033 |
+
2933788F430AFC15_3098B8C039ECECC3_6038_DP,OC(=O)C3(CNC(=O)C2=CC1=C(C=CC(=C1Cl)Cl)[NH]2)CCOC3,GIYOLSWCFMWMGJ-UHFFFAOYSA-N
|
| 29034 |
+
29AA1EF761843D02_1B6938FABAFC6FBB_6041_DP,N2C[C@H]1CN(C[C@H]1C2)C3=NC(=CN=C3)N[C@@H]4CCN(C)[C@H]4C5=CC(=C(C=C5)F)F,NKVSVVSRWVXOLB-ONHLAKKPSA-N
|
| 29035 |
+
29C9FE6A5DC5D2E9_2822091B50F87C1E_6041_UN,OC(=O)C1=CC(=C(N=C1)NC(C2=CC=C(CC(C)C)C=C2)C)[N](=O)=O,MQGXGHNXPXZSBS-UHFFFAOYSA-N
|
| 29036 |
+
2BB450A34BEDB764_0F5C3BBE571D815C_6041_UN,CC1=NC(=CC(=C1)[N](=O)=O)NC2=C(C(OC)=O)C=C(C(=C2)Cl)Cl,AVVYGSHSPFSQMT-UHFFFAOYSA-N
|
| 29037 |
+
2C273C7A68B42E52_DD25538FBF0FAD5F_6038_UN,CC(CNC(=O)CCSC1=CC=C(C=C1)F)N3CCC2=C(C=CS2)C3,ZQEVKNMSDLUEON-UHFFFAOYSA-N
|
| 29038 |
+
2CBB8103200663D5_D50B5F6BFF92D04D_2267_UN,NC1=C(C=CC=C1)C(=O)NCCC#CC2=C([S](N)(=O)=O)SC=C2,USEKCXZNNADVMU-UHFFFAOYSA-N
|
| 29039 |
+
2DC86CEDB405CCC0_A1DE63961BE73866_6041_UN,CN1C(=NNC1=S)C2=CC(=CC=C2)NCC45CC3CC(CC(C)(C3)C4)C5,FQRSLOQQFSVUEO-UHFFFAOYSA-N
|
| 29040 |
+
2E04818B5A11F76E_9215E6FD7931DFC8_6038_UN,N(C1C2CCC(CC1)CO2)C(C3=C(C)C=CC(=C3C)[S](=O)(=O)Cl)=O,OGAPEXDZUVWUIP-UHFFFAOYSA-N
|
| 29041 |
+
301A2EEEE358CB27_477BB440BB4F2A33_6038_UN,CC1=C(C=C(C(=C1)C)[N](=O)=O)NC(C2=C([S](C)(=O)=O)SC=C2)=O,LXPRZFUPTCAWLG-UHFFFAOYSA-N
|
| 29042 |
+
30AE641DC6806D7B_ED24596EFBD0B734_6038_UN,COC1=C(C=C(C=C1)C4CC(OC(=O)C2=C[NH]N=C2C3CC3)C4)F,LTQNSOZSBCJDKG-UHFFFAOYSA-N
|
| 29043 |
+
32F5127776221075_74A37282D22C675B_6041_UN,FC1=CC=C(C=C1)C3=C2C=CC=CC2=C(N=N3)N[C@H]4CN(C[C@H]4OC)C5=NC(=NC=C5)N(C)C,RPDLQZHGYORNAF-LEWJYISDSA-N
|
| 29044 |
+
366CE9C94999F2C3_DCC3239418E4F978_6041_UN,C1(=C(C=CC=C1)OC2=NN=CC=C2)NC4=CC3=C(C(C)COB3O)C=C4,LESBKASLHZVXJE-UHFFFAOYSA-N
|
| 29045 |
+
36991BD08C9D20B5_1F96EB604DFE8B1B_6041_UN,FC1=CC=C(C=C1)CC2=NN=C(S2)NC[C@@H]3CCCN(C)[C@H]3C4=CN=C[N]4C,BOVBBMJMQNYBLA-HNAYVOBHSA-N
|
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